2-chloropropan-2-yl N-phenylcarbamate

C10H12ClNO2 — CID 70225555

IUPAC2-chloropropan-2-yl N-phenylcarbamate
SMILESCC(C)(Cl)OC(=O)Nc1ccccc1
InChIInChI=1S/C10H12ClNO2/c1-10(2,11)14-9(13)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13)
InChIKeyWNXPJHVOAAVSMH-UHFFFAOYSA-N
MW213.66 g/mol
LogP3.21
Rot. Bonds2

About 2-chloropropan-2-yl N-phenylcarbamate

2-chloropropan-2-yl N-phenylcarbamate (PubChem CID 70225555) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloropropan-2-yl N-phenylcarbamate.

Molecular Properties

Compound Name2-chloropropan-2-yl N-phenylcarbamate
PubChem CID70225555
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloropropan-2-yl N-phenylcarbamate
SMILESCC(C)(Cl)OC(=O)Nc1ccccc1
InChIInChI=1S/C10H12ClNO2/c1-10(2,11)14-9(13)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13)
InChIKeyWNXPJHVOAAVSMH-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
3-methoxy-2,2-dimethyl-N-phenylpropanamide
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CID 68594224
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
(2-tert-butylphenyl) N-phenylcarbamate
CID 681743
(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
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chlorosulfonyl N-phenylcarbamate
CID 174941251
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
5-anilino-4,4-dimethyl-5-oxopentanoic acid
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ethane;N-phenylcarbamoyl chloride
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tert-butyl N-[4-[carbonochloridoyl(methyl)amino]phenyl]carbamate
CID 14349632

Frequently Asked Questions

What is the IUPAC name of 2-chloropropan-2-yl N-phenylcarbamate?
The IUPAC name of 2-chloropropan-2-yl N-phenylcarbamate (CID 70225555) is 2-chloropropan-2-yl N-phenylcarbamate.
What is the SMILES notation for 2-chloropropan-2-yl N-phenylcarbamate?
The canonical SMILES for 2-chloropropan-2-yl N-phenylcarbamate is CC(C)(Cl)OC(=O)Nc1ccccc1.
What is the InChIKey of 2-chloropropan-2-yl N-phenylcarbamate?
The InChIKey is WNXPJHVOAAVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-10(2,11)14-9(13)12-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-chloropropan-2-yl N-phenylcarbamate?
2-chloropropan-2-yl N-phenylcarbamate has a molecular weight of 213.66 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropan-2-yl N-phenylcarbamate is sourced from PubChem (CID 70225555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).