3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide

C20H15Cl2N3O2 — CID 10971378

IUPAC3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H15Cl2N3O2/c21-14-9-13(10-15(22)11-14)19(26)23-17-7-4-8-18(12-17)25-20(27)24-16-5-2-1-3-6-16/h1-12H,(H,23,26)(H2,24,25,27)
InChIKeySVWKENWRMBXWBG-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.89
Rot. Bonds4

About 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide

3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 10971378) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID10971378
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H15Cl2N3O2/c21-14-9-13(10-15(22)11-14)19(26)23-17-7-4-8-18(12-17)25-20(27)24-16-5-2-1-3-6-16/h1-12H,(H,23,26)(H2,24,25,27)
InChIKeySVWKENWRMBXWBG-UHFFFAOYSA-N
XLogP5.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296
3,5-dichloro-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17133465
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17133560
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide (CID 10971378) is 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide is O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is SVWKENWRMBXWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c21-14-9-13(10-15(22)11-14)19(26)23-17-7-4-8-18(12-17)25-20(27)24-16-5-2-1-3-6-16/h1-12H,(H,23,26)(H2,24,25,27).
What are the key properties of 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide?
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 400.27 g/mol, XLogP of 5.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 10971378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).