tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate

C14H20ClNO2 — CID 63789387

IUPACtert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
SMILESCC(Cc1ccccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(16-13(17)18-14(2,3)4)9-11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyJAXQLBNCVPLUCE-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate

tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate (PubChem CID 63789387) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
PubChem CID63789387
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nametert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
SMILESCC(Cc1ccccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(16-13(17)18-14(2,3)4)9-11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyJAXQLBNCVPLUCE-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2761563
tert-butyl N-[3-[1-(2-chlorophenyl)propan-2-ylamino]propyl]carbamate
CID 103781133
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
3-amino-N-[1-(2-chlorophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 81489482
4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 66996981
tert-butyl N-[4-(2-chlorophenyl)-1-oxobutan-2-yl]carbamate
CID 84731009
tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 94811556
2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
tert-butyl N-[4-[(3-chloro-2-fluorophenyl)methylamino]butan-2-yl]carbamate
CID 103761939
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(1-phenylpropan-2-ylamino)propan-2-yl]carbamate
CID 148813145

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate (CID 63789387) is tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate is CC(Cc1ccccc1Cl)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate?
The InChIKey is JAXQLBNCVPLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(16-13(17)18-14(2,3)4)9-11-7-5-6-8-12(11)15/h5-8,10H,9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate?
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate has a molecular weight of 269.77 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 63789387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).