4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide

C20H23ClN2O3 — CID 55807308

IUPAC4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)22-20(25)17-10-7-15(21)12-18(17)23-19(24)11-6-14-4-8-16(26-3)9-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIKFIZFXOUZCFPB-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.06
Rot. Bonds7

About 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide

4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 55807308) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID55807308
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
SMILESCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)22-20(25)17-10-7-15(21)12-18(17)23-19(24)11-6-14-4-8-16(26-3)9-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyIKFIZFXOUZCFPB-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 120608743
4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807409
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
4-chloro-2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807538
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide (CID 55807308) is 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide is COc1ccc(CCC(=O)Nc2cc(Cl)ccc2C(=O)NC(C)C)cc1.
What is the InChIKey of 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is IKFIZFXOUZCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(2)22-20(25)17-10-7-15(21)12-18(17)23-19(24)11-6-14-4-8-16(26-3)9-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide?
4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55807308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).