N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C36H35BrN2O2 — CID 162012639

IUPACN-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC.Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1.O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO.C17H12BrNO.CH4/c1-13-6-10-17(11-7-13)19-18(20)16-9-8-14-4-2-3-5-15(14)12-16;18-15-7-9-16(10-8-15)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14;/h6-12H,2-5H2,1H3,(H,19,20);1-11H,(H,19,20);1H4
InChIKeyYTRGETNNRTVTNI-UHFFFAOYSA-N
MW607.59 g/mol
LogP9.62
Rot. Bonds4

About N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 162012639) has the molecular formula C36H35BrN2O2 and a molecular weight of 607.59 g/mol. Its IUPAC name is N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID162012639
Molecular FormulaC36H35BrN2O2
Molecular Weight607.59 g/mol
Exact Mass606.19
IUPAC NameN-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC.Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1.O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NO.C17H12BrNO.CH4/c1-13-6-10-17(11-7-13)19-18(20)16-9-8-14-4-2-3-5-15(14)12-16;18-15-7-9-16(10-8-15)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14;/h6-12H,2-5H2,1H3,(H,19,20);1-11H,(H,19,20);1H4
InChIKeyYTRGETNNRTVTNI-UHFFFAOYSA-N
XLogP9.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.59
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-[(4-bromophenyl)carbamoyl]naphthalene-2-carboxamide
CID 980589
N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide
CID 118728727
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7669273

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 162012639) is N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is C.Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1.O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YTRGETNNRTVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.C17H12BrNO.CH4/c1-13-6-10-17(11-7-13)19-18(20)16-9-8-14-4-2-3-5-15(14)12-16;18-15-7-9-16(10-8-15)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14;/h6-12H,2-5H2,1H3,(H,19,20);1-11H,(H,19,20);1H4.
What are the key properties of N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 607.59 g/mol, XLogP of 9.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)naphthalene-2-carboxamide;methane;N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 162012639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).