N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

C18H24Cl2N4O3 — CID 46630518

IUPACN-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N4O3/c1-11(17(26)23-18(27)22-12-5-3-4-6-12)24(2)10-16(25)21-13-7-8-14(19)15(20)9-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeySZPZQAZTJQRQJD-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.02
Rot. Bonds6

About N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 46630518) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID46630518
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC NameN-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N4O3/c1-11(17(26)23-18(27)22-12-5-3-4-6-12)24(2)10-16(25)21-13-7-8-14(19)15(20)9-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeySZPZQAZTJQRQJD-UHFFFAOYSA-N
XLogP3.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 40817156
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787931
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 16561622

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (CID 46630518) is N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is CC(C(=O)NC(=O)NC1CCCC1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is SZPZQAZTJQRQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O3/c1-11(17(26)23-18(27)22-12-5-3-4-6-12)24(2)10-16(25)21-13-7-8-14(19)15(20)9-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 415.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 46630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).