2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate

C16H14BrClN2O3 — CID 3253612

IUPAC2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O3/c17-12-3-1-2-11(10-12)15(21)19-8-9-23-16(22)20-14-6-4-13(18)5-7-14/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyQXDSIEZZEVPUQY-UHFFFAOYSA-N
MW397.66 g/mol
LogP4.08
Rot. Bonds5

About 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate

2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3253612) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate
PubChem CID3253612
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrClN2O3/c17-12-3-1-2-11(10-12)15(21)19-8-9-23-16(22)20-14-6-4-13(18)5-7-14/h1-7,10H,8-9H2,(H,19,21)(H,20,22)
InChIKeyQXDSIEZZEVPUQY-UHFFFAOYSA-N
XLogP4.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
3-bromo-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54791485
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 163975563
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate (CID 3253612) is 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is QXDSIEZZEVPUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c17-12-3-1-2-11(10-12)15(21)19-8-9-23-16(22)20-14-6-4-13(18)5-7-14/h1-7,10H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate?
2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 397.66 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3253612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).