tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate

C19H20ClNO3 — CID 91938097

IUPACtert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-19(2,3)24-18(23)21(13-14-7-5-4-6-8-14)17(22)15-9-11-16(20)12-10-15/h4-12H,13H2,1-3H3
InChIKeyKCBHPBAPRAVMIW-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate

tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate (PubChem CID 91938097) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
PubChem CID91938097
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Nametert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-19(2,3)24-18(23)21(13-14-7-5-4-6-8-14)17(22)15-9-11-16(20)12-10-15/h4-12H,13H2,1-3H3
InChIKeyKCBHPBAPRAVMIW-UHFFFAOYSA-N
XLogP4.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-benzyl-N-(4-nitrobenzoyl)carbamate
CID 10450911
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
CID 101149304
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
tert-butyl N-[benzoyl(benzyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030176
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
tert-butyl N-benzyl-N-(3-phenylprop-2-enoyl)carbamate
CID 170993459
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
tert-butyl N-[(4-chlorophenyl)methyl]-N-methylsulfonylcarbamate
CID 1484576
tert-butyl N-benzyl-N-[(E)-1-iodo-2-phenylethenyl]carbamate
CID 154711768
methyl 4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 58338883

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate (CID 91938097) is tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate?
The InChIKey is KCBHPBAPRAVMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-19(2,3)24-18(23)21(13-14-7-5-4-6-8-14)17(22)15-9-11-16(20)12-10-15/h4-12H,13H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate?
tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate has a molecular weight of 345.83 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate is sourced from PubChem (CID 91938097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).