5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide

C19H20BrN3O2 — CID 42659083

IUPAC5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1C(=O)NC1CC1
InChIInChI=1S/C19H20BrN3O2/c1-23(2)17-9-8-15(11-16(17)19(25)21-14-6-7-14)22-18(24)12-4-3-5-13(20)10-12/h3-5,8-11,14H,6-7H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUXCSVFJXYHDASB-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.66
Rot. Bonds5

About 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide

5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide (PubChem CID 42659083) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
PubChem CID42659083
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1C(=O)NC1CC1
InChIInChI=1S/C19H20BrN3O2/c1-23(2)17-9-8-15(11-16(17)19(25)21-14-6-7-14)22-18(24)12-4-3-5-13(20)10-12/h3-5,8-11,14H,6-7H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUXCSVFJXYHDASB-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
CID 42747482
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 4015085
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
5-[(3-bromobenzoyl)amino]-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4545097
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
CID 42747228

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
The IUPAC name of 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide (CID 42659083) is 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
The canonical SMILES for 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide is CN(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1C(=O)NC1CC1.
What is the InChIKey of 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
The InChIKey is UXCSVFJXYHDASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-23(2)17-9-8-15(11-16(17)19(25)21-14-6-7-14)22-18(24)12-4-3-5-13(20)10-12/h3-5,8-11,14H,6-7H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide?
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide has a molecular weight of 402.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide is sourced from PubChem (CID 42659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).