propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate

C17H18ClNO2 — CID 13258029

IUPACpropan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
SMILESCC(C)OC(=O)N(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-13(2)21-17(20)19(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3
InChIKeyYJSCLYRKRNULNV-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.89
Rot. Bonds4

About propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate

propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate (PubChem CID 13258029) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
PubChem CID13258029
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namepropan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
SMILESCC(C)OC(=O)N(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-13(2)21-17(20)19(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3
InChIKeyYJSCLYRKRNULNV-UHFFFAOYSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid
CID 28765640
propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
CID 54940311
3-[2-chloro-N-(2-methylpropanoyl)anilino]propanoic acid
CID 28764433
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70357942
N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
CID 87179245
dipropan-2-yl (2R,3S)-2-benzyl-3-hydroxybutanedioate
CID 14264444
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate
CID 989933
propan-2-yl N-methyl-N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]carbamate
CID 142061604
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
N-(chloromethyl)-N-(2-chlorophenyl)carbamoyl chloride
CID 13195554

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate?
The IUPAC name of propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate (CID 13258029) is propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate?
The canonical SMILES for propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate is CC(C)OC(=O)N(Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate?
The InChIKey is YJSCLYRKRNULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-13(2)21-17(20)19(12-14-8-4-3-5-9-14)16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3.
What are the key properties of propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate?
propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate has a molecular weight of 303.79 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 13258029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).