N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide

C19H21ClN2O3 — CID 113054840

IUPACN-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(Cc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C19H21ClN2O3/c1-14(23)22(13-15-3-7-17(20)8-4-15)12-11-21-19(24)16-5-9-18(25-2)10-6-16/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyAZQIQBMGJDBFQZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide

N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide (PubChem CID 113054840) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
PubChem CID113054840
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(Cc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C19H21ClN2O3/c1-14(23)22(13-15-3-7-17(20)8-4-15)12-11-21-19(24)16-5-9-18(25-2)10-6-16/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyAZQIQBMGJDBFQZ-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113056323
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
N-[bis[(4-methoxyphenyl)methyl]carbamothioyl]-4-chlorobenzamide
CID 87073657
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
4-chloro-N-[2-[(4-chlorobenzoyl)-ethylamino]ethyl]benzamide
CID 4570417
4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide (CID 113054840) is N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN(Cc2ccc(Cl)cc2)C(C)=O)cc1.
What is the InChIKey of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide?
The InChIKey is AZQIQBMGJDBFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-14(23)22(13-15-3-7-17(20)8-4-15)12-11-21-19(24)16-5-9-18(25-2)10-6-16/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide?
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 113054840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).