phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate

C26H18Cl2N2O4 — CID 156703410

IUPACphenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate
SMILESO=C(Oc1ccccc1)N(c1cccc(Cl)c1)N(C(=O)Oc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C26H18Cl2N2O4/c27-19-9-7-11-21(17-19)29(25(31)33-23-13-3-1-4-14-23)30(22-12-8-10-20(28)18-22)26(32)34-24-15-5-2-6-16-24/h1-18H
InChIKeyNLZWVZDNQBTBMS-UHFFFAOYSA-N
MW493.35 g/mol
LogP7.62
Rot. Bonds4

About phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate

phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate (PubChem CID 156703410) has the molecular formula C26H18Cl2N2O4 and a molecular weight of 493.35 g/mol. Its IUPAC name is phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate
PubChem CID156703410
Molecular FormulaC26H18Cl2N2O4
Molecular Weight493.35 g/mol
Exact Mass492.06
IUPAC Namephenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate
SMILESO=C(Oc1ccccc1)N(c1cccc(Cl)c1)N(C(=O)Oc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C26H18Cl2N2O4/c27-19-9-7-11-21(17-19)29(25(31)33-23-13-3-1-4-14-23)30(22-12-8-10-20(28)18-22)26(32)34-24-15-5-2-6-16-24/h1-18H
InChIKeyNLZWVZDNQBTBMS-UHFFFAOYSA-N
XLogP7.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.35
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate
CID 70632052
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
phenyl N-ethenyl-N-phenylcarbamate
CID 154121806
(N-benzoyl-3-chloroanilino) acetate
CID 132609379
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
3-chloro-N-hydroxy-N-phenylbenzamide
CID 73332862
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
2-chloro-N-(3-chlorophenyl)-N-hydroxybenzamide
CID 13173966
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate?
The IUPAC name of phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate (CID 156703410) is phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate.
What is the SMILES notation for phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate?
The canonical SMILES for phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate is O=C(Oc1ccccc1)N(c1cccc(Cl)c1)N(C(=O)Oc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate?
The InChIKey is NLZWVZDNQBTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O4/c27-19-9-7-11-21(17-19)29(25(31)33-23-13-3-1-4-14-23)30(22-12-8-10-20(28)18-22)26(32)34-24-15-5-2-6-16-24/h1-18H.
What are the key properties of phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate?
phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate has a molecular weight of 493.35 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-chloro-N-phenoxycarbonylanilino)-N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 156703410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).