(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide

C22H22ClNO2 — CID 39948381

IUPAC(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
SMILESCOc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C22H22ClNO2/c1-15(22(25)24(2)14-16-5-4-6-20(23)11-16)17-7-8-19-13-21(26-3)10-9-18(19)12-17/h4-13,15H,14H2,1-3H3/t15-/m1/s1
InChIKeySEUORTJDVUOQKY-OAHLLOKOSA-N
MW367.88 g/mol
LogP5.26
Rot. Bonds5

About (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide

(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide (PubChem CID 39948381) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
PubChem CID39948381
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
SMILESCOc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C22H22ClNO2/c1-15(22(25)24(2)14-16-5-4-6-20(23)11-16)17-7-8-19-13-21(26-3)10-9-18(19)12-17/h4-13,15H,14H2,1-3H3/t15-/m1/s1
InChIKeySEUORTJDVUOQKY-OAHLLOKOSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide
CID 131559171
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
2-(6-methoxynaphthalen-2-yl)-N,N-bis(prop-2-enyl)propanamide
CID 73441725
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 45351967
2-[4-[[[3-(3-chlorophenyl)-2-methylpropanoyl]-methylamino]methyl]phenoxy]acetic acid
CID 120538009
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 143377610
2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
CID 18116972

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide (CID 39948381) is (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide is COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The InChIKey is SEUORTJDVUOQKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-15(22(25)24(2)14-16-5-4-6-20(23)11-16)17-7-8-19-13-21(26-3)10-9-18(19)12-17/h4-13,15H,14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
(2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide has a molecular weight of 367.88 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chlorophenyl)methyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 39948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).