N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide

C15H18ClN5O2 — CID 56805253

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cn1cncn1
InChIInChI=1S/C15H18ClN5O2/c1-2-7-20(15(23)9-21-11-17-10-18-21)8-14(22)19-13-5-3-12(16)4-6-13/h3-6,10-11H,2,7-9H2,1H3,(H,19,22)
InChIKeyVJDPXIZMDIIVLZ-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 56805253) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID56805253
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cn1cncn1
InChIInChI=1S/C15H18ClN5O2/c1-2-7-20(15(23)9-21-11-17-10-18-21)8-14(22)19-13-5-3-12(16)4-6-13/h3-6,10-11H,2,7-9H2,1H3,(H,19,22)
InChIKeyVJDPXIZMDIIVLZ-UHFFFAOYSA-N
XLogP1.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42033517
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005668
methyl 2-[ethyl-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetate
CID 55148837
N-[6-(4-chlorophenoxy)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51093159
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 119783818
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038168
2-(aminomethyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119783817
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
N-[4-(azepan-1-ylmethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 46958365
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide (CID 56805253) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)Cn1cncn1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is VJDPXIZMDIIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-2-7-20(15(23)9-21-11-17-10-18-21)8-14(22)19-13-5-3-12(16)4-6-13/h3-6,10-11H,2,7-9H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 335.80 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 56805253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).