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

C20H22Cl2N2O2 — CID 113119608

IUPAC3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-15(25)24(14-17-4-8-19(22)9-5-17)13-11-20(26)23-12-10-16-2-6-18(21)7-3-16/h2-9H,10-14H2,1H3,(H,23,26)
InChIKeyAYPGARUXKVZZAY-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.09
Rot. Bonds8

About 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide

3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 113119608) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID113119608
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-15(25)24(14-17-4-8-19(22)9-5-17)13-11-20(26)23-12-10-16-2-6-18(21)7-3-16/h2-9H,10-14H2,1H3,(H,23,26)
InChIKeyAYPGARUXKVZZAY-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
CID 113130830
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113158667
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 113119608) is 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is AYPGARUXKVZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-15(25)24(14-17-4-8-19(22)9-5-17)13-11-20(26)23-12-10-16-2-6-18(21)7-3-16/h2-9H,10-14H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 393.31 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 113119608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).