4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide

C19H21ClN2O3 — CID 9262595

IUPAC4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-12-4-9-17(25-3)16(10-12)13(2)22-18(23)11-21-19(24)14-5-7-15(20)8-6-14/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyFWANOJZJQXPMSD-ZDUSSCGKSA-N
MW360.84 g/mol
LogP3.26
Rot. Bonds6

About 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 9262595) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID9262595
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-12-4-9-17(25-3)16(10-12)13(2)22-18(23)11-21-19(24)14-5-7-15(20)8-6-14/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyFWANOJZJQXPMSD-ZDUSSCGKSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51276088
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51220435
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9477196
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 8768923
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9262553
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide (CID 9262595) is 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide is COc1ccc(C)cc1[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is FWANOJZJQXPMSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-4-9-17(25-3)16(10-12)13(2)22-18(23)11-21-19(24)14-5-7-15(20)8-6-14/h4-10,13H,11H2,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9262595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).