N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide

C16H17ClN4O2 — CID 51091959

IUPACN-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCCc1cccnc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c17-13-3-5-14(6-4-13)21-15(22)11-20-16(23)19-9-7-12-2-1-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,21,22)(H2,19,20,23)
InChIKeyMSWAZAHSKDHXEM-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.22
Rot. Bonds6

About N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide

N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide (PubChem CID 51091959) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
PubChem CID51091959
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCCc1cccnc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O2/c17-13-3-5-14(6-4-13)21-15(22)11-20-16(23)19-9-7-12-2-1-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,21,22)(H2,19,20,23)
InChIKeyMSWAZAHSKDHXEM-UHFFFAOYSA-N
XLogP2.22
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-3-ylethyl)acetamide
CID 55555065
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 3818400
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 87010679
1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea
CID 99840706
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988232

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide (CID 51091959) is N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide is O=C(CNC(=O)NCCc1cccnc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide?
The InChIKey is MSWAZAHSKDHXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-13-3-5-14(6-4-13)21-15(22)11-20-16(23)19-9-7-12-2-1-8-18-10-12/h1-6,8,10H,7,9,11H2,(H,21,22)(H2,19,20,23).
What are the key properties of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide?
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide has a molecular weight of 332.79 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide is sourced from PubChem (CID 51091959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).