3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide

C19H16ClN3O3 — CID 17199897

IUPAC3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16ClN3O3/c20-14-6-8-15(9-7-14)22-19(25)23-16-4-1-3-13(11-16)18(24)21-12-17-5-2-10-26-17/h1-11H,12H2,(H,21,24)(H2,22,23,25)
InChIKeyXWGNBMZTTGQZSX-UHFFFAOYSA-N
MW369.81 g/mol
LogP4.51
Rot. Bonds5

About 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide

3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 17199897) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID17199897
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C19H16ClN3O3/c20-14-6-8-15(9-7-14)22-19(25)23-16-4-1-3-13(11-16)18(24)21-12-17-5-2-10-26-17/h1-11H,12H2,(H,21,24)(H2,22,23,25)
InChIKeyXWGNBMZTTGQZSX-UHFFFAOYSA-N
XLogP4.51
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide (CID 17199897) is 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide is O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is XWGNBMZTTGQZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-14-6-8-15(9-7-14)22-19(25)23-16-4-1-3-13(11-16)18(24)21-12-17-5-2-10-26-17/h1-11H,12H2,(H,21,24)(H2,22,23,25).
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide?
3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 369.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 17199897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).