4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide

C17H16Cl2FN3O3 — CID 166747486

IUPAC4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)Nc1cc(Cl)ccc1C(=O)NCCCO
InChIInChI=1S/C17H16Cl2FN3O3/c18-10-2-3-14(16(25)21-4-1-5-24)15(8-10)23-17(26)22-13-7-11(19)6-12(20)9-13/h2-3,6-9,24H,1,4-5H2,(H,21,25)(H2,22,23,26)
InChIKeyQEULRPKASFTUII-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.89
Rot. Bonds6

About 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide

4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide (PubChem CID 166747486) has the molecular formula C17H16Cl2FN3O3 and a molecular weight of 400.24 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
PubChem CID166747486
Molecular FormulaC17H16Cl2FN3O3
Molecular Weight400.24 g/mol
Exact Mass399.06
IUPAC Name4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)Nc1cc(Cl)ccc1C(=O)NCCCO
InChIInChI=1S/C17H16Cl2FN3O3/c18-10-2-3-14(16(25)21-4-1-5-24)15(8-10)23-17(26)22-13-7-11(19)6-12(20)9-13/h2-3,6-9,24H,1,4-5H2,(H,21,25)(H2,22,23,26)
InChIKeyQEULRPKASFTUII-UHFFFAOYSA-N
XLogP3.89
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 156854108
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854180
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747514
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854090
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854286
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854234
1-(3-bromo-5-fluorophenyl)-3-[5-chloro-2-(2-hydroxyethyl)phenyl]urea
CID 166747587
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
CID 156854203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide (CID 166747486) is 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide is O=C(Nc1cc(F)cc(Cl)c1)Nc1cc(Cl)ccc1C(=O)NCCCO.
What is the InChIKey of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
The InChIKey is QEULRPKASFTUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O3/c18-10-2-3-14(16(25)21-4-1-5-24)15(8-10)23-17(26)22-13-7-11(19)6-12(20)9-13/h2-3,6-9,24H,1,4-5H2,(H,21,25)(H2,22,23,26).
What are the key properties of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide has a molecular weight of 400.24 g/mol, XLogP of 3.89, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 166747486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).