phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate

C17H18ClNO2 — CID 60709177

IUPACphenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(2)16(13-8-10-14(18)11-9-13)19-17(20)21-15-6-4-3-5-7-15/h3-12,16H,1-2H3,(H,19,20)
InChIKeyITYHOKXXBVHEPF-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.83
Rot. Bonds4

About phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate

phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate (PubChem CID 60709177) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
PubChem CID60709177
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namephenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)Oc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(2)16(13-8-10-14(18)11-9-13)19-17(20)21-15-6-4-3-5-7-15/h3-12,16H,1-2H3,(H,19,20)
InChIKeyITYHOKXXBVHEPF-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 101077414
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
phenyl (2S,3S)-3-(4-chlorophenyl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 142440889
phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate
CID 60629562
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 16603694
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate?
The IUPAC name of phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate (CID 60709177) is phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate.
What is the SMILES notation for phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate?
The canonical SMILES for phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate is CC(C)C(NC(=O)Oc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate?
The InChIKey is ITYHOKXXBVHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(2)16(13-8-10-14(18)11-9-13)19-17(20)21-15-6-4-3-5-7-15/h3-12,16H,1-2H3,(H,19,20).
What are the key properties of phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate?
phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate has a molecular weight of 303.79 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate is sourced from PubChem (CID 60709177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).