(3-chlorophenyl) N-pentan-2-ylcarbamate

C12H16ClNO2 — CID 174677253

IUPAC(3-chlorophenyl) N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-5-9(2)14-12(15)16-11-7-4-6-10(13)8-11/h4,6-9H,3,5H2,1-2H3,(H,14,15)
InChIKeyHVAVYANPFBVKDV-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.62
Rot. Bonds4

About (3-chlorophenyl) N-pentan-2-ylcarbamate

(3-chlorophenyl) N-pentan-2-ylcarbamate (PubChem CID 174677253) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (3-chlorophenyl) N-pentan-2-ylcarbamate.

Molecular Properties

Compound Name(3-chlorophenyl) N-pentan-2-ylcarbamate
PubChem CID174677253
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(3-chlorophenyl) N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-3-5-9(2)14-12(15)16-11-7-4-6-10(13)8-11/h4,6-9H,3,5H2,1-2H3,(H,14,15)
InChIKeyHVAVYANPFBVKDV-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl) 2-methylpentanoate
CID 78777176
(3-chlorophenyl) 2-bromopropanoate
CID 87059196
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
(2S)-2-[3-(3-chlorophenoxy)propanoylamino]pentanoic acid
CID 107564597
(3-chlorophenyl) propyl carbonate
CID 91713194
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
(3-bromophenyl) N-(1-aminopropan-2-yl)carbamate
CID 83826083
(3-chlorophenyl) N-[(1S)-2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]carbamate
CID 1014610
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
[3-(butylaminocarbamoyloxy)phenyl] N-(1-aminobutyl)carbamate
CID 163998362

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) N-pentan-2-ylcarbamate?
The IUPAC name of (3-chlorophenyl) N-pentan-2-ylcarbamate (CID 174677253) is (3-chlorophenyl) N-pentan-2-ylcarbamate.
What is the SMILES notation for (3-chlorophenyl) N-pentan-2-ylcarbamate?
The canonical SMILES for (3-chlorophenyl) N-pentan-2-ylcarbamate is CCCC(C)NC(=O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) N-pentan-2-ylcarbamate?
The InChIKey is HVAVYANPFBVKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-5-9(2)14-12(15)16-11-7-4-6-10(13)8-11/h4,6-9H,3,5H2,1-2H3,(H,14,15).
What are the key properties of (3-chlorophenyl) N-pentan-2-ylcarbamate?
(3-chlorophenyl) N-pentan-2-ylcarbamate has a molecular weight of 241.72 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) N-pentan-2-ylcarbamate is sourced from PubChem (CID 174677253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).