[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate

C22H19BrClNO2 — CID 91140586

IUPAC[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate
SMILESO=C(NCCc1ccc(CBr)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19BrClNO2/c23-15-17-3-1-16(2-4-17)13-14-25-22(26)27-21-11-7-19(8-12-21)18-5-9-20(24)10-6-18/h1-12H,13-15H2,(H,25,26)
InChIKeyDVRGXCJNGVTGBH-UHFFFAOYSA-N
MW444.76 g/mol
LogP6.23
Rot. Bonds6

About [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate

[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate (PubChem CID 91140586) has the molecular formula C22H19BrClNO2 and a molecular weight of 444.76 g/mol. Its IUPAC name is [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate
PubChem CID91140586
Molecular FormulaC22H19BrClNO2
Molecular Weight444.76 g/mol
Exact Mass443.03
IUPAC Name[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate
SMILESO=C(NCCc1ccc(CBr)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19BrClNO2/c23-15-17-3-1-16(2-4-17)13-14-25-22(26)27-21-11-7-19(8-12-21)18-5-9-20(24)10-6-18/h1-12H,13-15H2,(H,25,26)
InChIKeyDVRGXCJNGVTGBH-UHFFFAOYSA-N
XLogP6.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]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

[4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 91518898
[4-(4-chlorophenyl)phenyl] N-[2-[2-bromo-4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 90846641
[4-(4-bromophenyl)phenyl] N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]carbamate
CID 90758353
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
phenyl N-(2-phenylethyl)carbamate
CID 12632743
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
[4-(4-chlorophenyl)phenyl] N-[2-(3-bromo-2-methyl-4-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 91339855
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate?
The IUPAC name of [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate (CID 91140586) is [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate?
The canonical SMILES for [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate is O=C(NCCc1ccc(CBr)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate?
The InChIKey is DVRGXCJNGVTGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClNO2/c23-15-17-3-1-16(2-4-17)13-14-25-22(26)27-21-11-7-19(8-12-21)18-5-9-20(24)10-6-18/h1-12H,13-15H2,(H,25,26).
What are the key properties of [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate?
[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate has a molecular weight of 444.76 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 91140586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).