N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H17ClN2O — CID 107126097

IUPACN-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)C2CCc3ccccc3C2)c1
InChIInChI=1S/C17H17ClN2O/c18-15-8-7-14(19)10-16(15)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13H,5-6,9,19H2,(H,20,21)
InChIKeyOXAJKOBGWAROIE-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.67
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126097) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126097
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)C2CCc3ccccc3C2)c1
InChIInChI=1S/C17H17ClN2O/c18-15-8-7-14(19)10-16(15)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13H,5-6,9,19H2,(H,20,21)
InChIKeyOXAJKOBGWAROIE-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 79697699
N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704006
N-(5-amino-2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43548805
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126097) is N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Nc1ccc(Cl)c(NC(=O)C2CCc3ccccc3C2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OXAJKOBGWAROIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-8-7-14(19)10-16(15)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13H,5-6,9,19H2,(H,20,21).
What are the key properties of N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).