6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide

C21H20BrNO — CID 67105818

IUPAC6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc3cc(Br)ccc3c2)cc1C
InChIInChI=1S/C21H20BrNO/c1-13-4-5-16(10-14(13)2)15(3)23-21(24)19-7-6-18-12-20(22)9-8-17(18)11-19/h4-12,15H,1-3H3,(H,23,24)/t15-/m1/s1
InChIKeyZOHJRJLACZDXJV-OAHLLOKOSA-N
MW382.30 g/mol
LogP5.71
Rot. Bonds3

About 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide

6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide (PubChem CID 67105818) has the molecular formula C21H20BrNO and a molecular weight of 382.30 g/mol. Its IUPAC name is 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
PubChem CID67105818
Molecular FormulaC21H20BrNO
Molecular Weight382.30 g/mol
Exact Mass381.07
IUPAC Name6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc3cc(Br)ccc3c2)cc1C
InChIInChI=1S/C21H20BrNO/c1-13-4-5-16(10-14(13)2)15(3)23-21(24)19-7-6-18-12-20(22)9-8-17(18)11-19/h4-12,15H,1-3H3,(H,23,24)/t15-/m1/s1
InChIKeyZOHJRJLACZDXJV-OAHLLOKOSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.30
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-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

3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
N-[1-(6-bromonaphthalen-2-yl)ethyl]acetamide
CID 68760589
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-methyl-3-nitrobenzamide
CID 94843364
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide (CID 67105818) is 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2ccc3cc(Br)ccc3c2)cc1C.
What is the InChIKey of 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide?
The InChIKey is ZOHJRJLACZDXJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20BrNO/c1-13-4-5-16(10-14(13)2)15(3)23-21(24)19-7-6-18-12-20(22)9-8-17(18)11-19/h4-12,15H,1-3H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide?
6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 67105818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).