phenyl N-[(4-chlorobenzoyl)amino]carbamate

C14H11ClN2O3 — CID 2807268

IUPACphenyl N-[(4-chlorobenzoyl)amino]carbamate
SMILESO=C(NNC(=O)c1ccc(Cl)cc1)Oc1ccccc1
InChIInChI=1S/C14H11ClN2O3/c15-11-8-6-10(7-9-11)13(18)16-17-14(19)20-12-4-2-1-3-5-12/h1-9H,(H,16,18)(H,17,19)
InChIKeyGGHWDTUTRHVULD-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.77
Rot. Bonds2

About phenyl N-[(4-chlorobenzoyl)amino]carbamate

phenyl N-[(4-chlorobenzoyl)amino]carbamate (PubChem CID 2807268) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is phenyl N-[(4-chlorobenzoyl)amino]carbamate.

Molecular Properties

Compound Namephenyl N-[(4-chlorobenzoyl)amino]carbamate
PubChem CID2807268
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Namephenyl N-[(4-chlorobenzoyl)amino]carbamate
SMILESO=C(NNC(=O)c1ccc(Cl)cc1)Oc1ccccc1
InChIInChI=1S/C14H11ClN2O3/c15-11-8-6-10(7-9-11)13(18)16-17-14(19)20-12-4-2-1-3-5-12/h1-9H,(H,16,18)(H,17,19)
InChIKeyGGHWDTUTRHVULD-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4-chlorobenzoyl)amino]carbamate?
The IUPAC name of phenyl N-[(4-chlorobenzoyl)amino]carbamate (CID 2807268) is phenyl N-[(4-chlorobenzoyl)amino]carbamate.
What is the SMILES notation for phenyl N-[(4-chlorobenzoyl)amino]carbamate?
The canonical SMILES for phenyl N-[(4-chlorobenzoyl)amino]carbamate is O=C(NNC(=O)c1ccc(Cl)cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(4-chlorobenzoyl)amino]carbamate?
The InChIKey is GGHWDTUTRHVULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-8-6-10(7-9-11)13(18)16-17-14(19)20-12-4-2-1-3-5-12/h1-9H,(H,16,18)(H,17,19).
What are the key properties of phenyl N-[(4-chlorobenzoyl)amino]carbamate?
phenyl N-[(4-chlorobenzoyl)amino]carbamate has a molecular weight of 290.71 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4-chlorobenzoyl)amino]carbamate is sourced from PubChem (CID 2807268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).