4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide

C17H16BrCl2N3O3 — CID 166747514

IUPAC4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Br)ccc1C(=O)NCCCO
InChIInChI=1S/C17H16BrCl2N3O3/c18-10-2-3-14(16(25)21-4-1-5-24)15(6-10)23-17(26)22-13-8-11(19)7-12(20)9-13/h2-3,6-9,24H,1,4-5H2,(H,21,25)(H2,22,23,26)
InChIKeyDKSFMHDASCAUQJ-UHFFFAOYSA-N
MW461.14 g/mol
LogP4.51
Rot. Bonds6

About 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide

4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide (PubChem CID 166747514) has the molecular formula C17H16BrCl2N3O3 and a molecular weight of 461.14 g/mol. Its IUPAC name is 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
PubChem CID166747514
Molecular FormulaC17H16BrCl2N3O3
Molecular Weight461.14 g/mol
Exact Mass458.98
IUPAC Name4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Br)ccc1C(=O)NCCCO
InChIInChI=1S/C17H16BrCl2N3O3/c18-10-2-3-14(16(25)21-4-1-5-24)15(6-10)23-17(26)22-13-8-11(19)7-12(20)9-13/h2-3,6-9,24H,1,4-5H2,(H,21,25)(H2,22,23,26)
InChIKeyDKSFMHDASCAUQJ-UHFFFAOYSA-N
XLogP4.51
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.14
LogP ≤ 54.51
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
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854234
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747486
N-(2-aminoethyl)-4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854074
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 170692567
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
2-[(3-bromophenyl)carbamoylamino]-N-(3-hydroxypropyl)-4-(trifluoromethoxy)benzamide
CID 170692568
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854180
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide (CID 166747514) is 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Br)ccc1C(=O)NCCCO.
What is the InChIKey of 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
The InChIKey is DKSFMHDASCAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrCl2N3O3/c18-10-2-3-14(16(25)21-4-1-5-24)15(6-10)23-17(26)22-13-8-11(19)7-12(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-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide?
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide has a molecular weight of 461.14 g/mol, XLogP of 4.51, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 166747514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).