2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide

C23H20Cl3N3O2 — CID 42706747

IUPAC2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20Cl3N3O2/c24-19-10-5-4-9-18(19)22(30)29(17-7-2-1-3-8-17)14-6-13-27-23(31)28-16-11-12-20(25)21(26)15-16/h1-5,7-12,15H,6,13-14H2,(H2,27,28,31)
InChIKeyBCZAYRZCWRZZOM-UHFFFAOYSA-N
MW476.79 g/mol
LogP6.51
Rot. Bonds7

About 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide

2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide (PubChem CID 42706747) has the molecular formula C23H20Cl3N3O2 and a molecular weight of 476.79 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
PubChem CID42706747
Molecular FormulaC23H20Cl3N3O2
Molecular Weight476.79 g/mol
Exact Mass475.06
IUPAC Name2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20Cl3N3O2/c24-19-10-5-4-9-18(19)22(30)29(17-7-2-1-3-8-17)14-6-13-27-23(31)28-16-11-12-20(25)21(26)15-16/h1-5,7-12,15H,6,13-14H2,(H2,27,28,31)
InChIKeyBCZAYRZCWRZZOM-UHFFFAOYSA-N
XLogP6.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-4-fluoro-N-phenylbenzamide
CID 42705688
3-(3,4-dichlorophenyl)-1-[3-[(3-fluorophenyl)carbamoylamino]propyl]-1-phenylurea
CID 42705924
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide
CID 42705713
1-(3,4-dichlorophenyl)-3-hex-5-ynylurea
CID 103757513
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
1-[3-(butylcarbamoylamino)propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
CID 42704685
2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
CID 42706776
1-(2-benzylsulfanylethyl)-3-(3,4-dichlorophenyl)urea
CID 100569621

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The IUPAC name of 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide (CID 42706747) is 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The canonical SMILES for 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide is O=C(NCCCN(C(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The InChIKey is BCZAYRZCWRZZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N3O2/c24-19-10-5-4-9-18(19)22(30)29(17-7-2-1-3-8-17)14-6-13-27-23(31)28-16-11-12-20(25)21(26)15-16/h1-5,7-12,15H,6,13-14H2,(H2,27,28,31).
What are the key properties of 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide has a molecular weight of 476.79 g/mol, XLogP of 6.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide is sourced from PubChem (CID 42706747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).