3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide

C20H25ClN2O — CID 109021357

IUPAC3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(C)N(CCC(=O)NCc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C20H25ClN2O/c1-16(2)23(15-17-8-4-3-5-9-17)13-12-20(24)22-14-18-10-6-7-11-19(18)21/h3-11,16H,12-15H2,1-2H3,(H,22,24)
InChIKeySXWWGNQJPPKFIN-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.26
Rot. Bonds8

About 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide

3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 109021357) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID109021357
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCC(C)N(CCC(=O)NCc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C20H25ClN2O/c1-16(2)23(15-17-8-4-3-5-9-17)13-12-20(24)22-14-18-10-6-7-11-19(18)21/h3-11,16H,12-15H2,1-2H3,(H,22,24)
InChIKeySXWWGNQJPPKFIN-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
3-[benzyl(propan-2-yl)amino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024669
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
CID 109021380
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide (CID 109021357) is 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide is CC(C)N(CCC(=O)NCc1ccccc1Cl)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is SXWWGNQJPPKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-16(2)23(15-17-8-4-3-5-9-17)13-12-20(24)22-14-18-10-6-7-11-19(18)21/h3-11,16H,12-15H2,1-2H3,(H,22,24).
What are the key properties of 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 344.89 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 109021357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).