tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate

C19H21ClN2O3 — CID 9209931

IUPACtert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(24)22-16-9-5-7-14(11-16)17(23)21-12-13-6-4-8-15(20)10-13/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAETDJKHTXVGRGE-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.62
Rot. Bonds4

About tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate

tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate (PubChem CID 9209931) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
PubChem CID9209931
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Nametert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(24)22-16-9-5-7-14(11-16)17(23)21-12-13-6-4-8-15(20)10-13/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAETDJKHTXVGRGE-UHFFFAOYSA-N
XLogP4.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]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

tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 46470838
tert-butyl N-[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 24536954
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 55539748
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
tert-butyl N-[[3-(3-chloroanilino)phenyl]methyl]carbamate
CID 110452782
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[2-[3-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate (CID 9209931) is tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate?
The InChIKey is AETDJKHTXVGRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2,3)25-18(24)22-16-9-5-7-14(11-16)17(23)21-12-13-6-4-8-15(20)10-13/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate has a molecular weight of 360.84 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 9209931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).