2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide

C17H17Cl2N3O2 — CID 27869715

IUPAC2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-11-3-5-12(6-4-11)20-16(23)10-22(2)17(24)21-13-7-8-14(18)15(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQADKPFZOAGIBED-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.40
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide

2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 27869715) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID27869715
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O2/c1-11-3-5-12(6-4-11)20-16(23)10-22(2)17(24)21-13-7-8-14(18)15(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQADKPFZOAGIBED-UHFFFAOYSA-N
XLogP4.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2672755
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
N-(3,4-dichlorophenyl)-2-[(2,4-difluorophenyl)carbamoyl-methylamino]acetamide
CID 55432424
(E)-3-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9494338
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 56512821
N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
CID 55743155
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 26772614
2-[1,3-benzothiazol-2-ylcarbamoyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 30260232

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide (CID 27869715) is 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is QADKPFZOAGIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-11-3-5-12(6-4-11)20-16(23)10-22(2)17(24)21-13-7-8-14(18)15(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 366.25 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 27869715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).