N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide

C20H25ClN2O2 — CID 109031714

IUPACN-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H25ClN2O2/c1-15(2)23(14-16-7-5-4-6-8-16)20(24)11-12-22-18-13-17(21)9-10-19(18)25-3/h4-10,13,15,22H,11-12,14H2,1-3H3
InChIKeyQBXNQAOCGPNRIQ-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.59
Rot. Bonds8

About N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide

N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide (PubChem CID 109031714) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
PubChem CID109031714
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C20H25ClN2O2/c1-15(2)23(14-16-7-5-4-6-8-16)20(24)11-12-22-18-13-17(21)9-10-19(18)25-3/h4-10,13,15,22H,11-12,14H2,1-3H3
InChIKeyQBXNQAOCGPNRIQ-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-chloro-2-methoxyanilino)propanoyl-methylamino]propanoic acid
CID 119208863
(2R)-2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoic acid
CID 119367488
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
CID 60535262
2-[3-(5-chloro-2-methoxyanilino)propanoylamino]propanoic acid
CID 119225123
3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
CID 109040385
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-benzyl-3-(2-nitroanilino)-N-propan-2-ylpropanamide
CID 24628021
ethyl 3-[3-(5-chloro-2-methoxyanilino)propanoylamino]-3-phenylpropanoate
CID 60599259

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide (CID 109031714) is N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide is COc1ccc(Cl)cc1NCCC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide?
The InChIKey is QBXNQAOCGPNRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-15(2)23(14-16-7-5-4-6-8-16)20(24)11-12-22-18-13-17(21)9-10-19(18)25-3/h4-10,13,15,22H,11-12,14H2,1-3H3.
What are the key properties of N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide?
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide has a molecular weight of 360.89 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 109031714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).