[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid

C14H13ClN2O2 — CID 155128689

IUPAC[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
SMILESO=C(O)NCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H13ClN2O2/c15-11-6-4-10(5-7-11)12(9-17-14(18)19)13-3-1-2-8-16-13/h1-8,12,17H,9H2,(H,18,19)
InChIKeyZOIXSQUKSDTEOD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.13
Rot. Bonds4

About [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid

[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid (PubChem CID 155128689) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
PubChem CID155128689
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
SMILESO=C(O)NCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H13ClN2O2/c15-11-6-4-10(5-7-11)12(9-17-14(18)19)13-3-1-2-8-16-13/h1-8,12,17H,9H2,(H,18,19)
InChIKeyZOIXSQUKSDTEOD-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]pentanamide
CID 16927840
3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
CID 110362940
N-(2-phenyl-2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110362884
2-(4-chlorophenyl)-N-(3-methoxypropyl)-2-pyridin-2-ylacetamide
CID 110373599
2-ethyl-N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]butanamide
CID 16928268
2-(4-chlorophenyl)-N-cyclopropyl-2-pyridin-2-ylacetamide
CID 110373589
bis[3-(4-chlorophenyl)-1-(dimethylamino)-3-pyridin-2-ylpropyl] (Z)-but-2-enedioate
CID 123133599
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]furan-2-carboxamide
CID 16928028

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid?
The IUPAC name of [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid (CID 155128689) is [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid.
What is the SMILES notation for [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid?
The canonical SMILES for [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid is O=C(O)NCC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid?
The InChIKey is ZOIXSQUKSDTEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-6-4-10(5-7-11)12(9-17-14(18)19)13-3-1-2-8-16-13/h1-8,12,17H,9H2,(H,18,19).
What are the key properties of [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid?
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid has a molecular weight of 276.72 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid is sourced from PubChem (CID 155128689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).