5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide

C20H25BrN4O2 — CID 3538460

IUPAC5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)Nc2ccccc2Br)ccc1N(C)C
InChIInChI=1S/C20H25BrN4O2/c1-13(2)12-22-19(26)15-11-14(9-10-18(15)25(3)4)23-20(27)24-17-8-6-5-7-16(17)21/h5-11,13H,12H2,1-4H3,(H,22,26)(H2,23,24,27)
InChIKeyFZJLZCFTRBDDQI-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.54
Rot. Bonds6

About 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide

5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide (PubChem CID 3538460) has the molecular formula C20H25BrN4O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
PubChem CID3538460
Molecular FormulaC20H25BrN4O2
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)Nc2ccccc2Br)ccc1N(C)C
InChIInChI=1S/C20H25BrN4O2/c1-13(2)12-22-19(26)15-11-14(9-10-18(15)25(3)4)23-20(27)24-17-8-6-5-7-16(17)21/h5-11,13H,12H2,1-4H3,(H,22,26)(H2,23,24,27)
InChIKeyFZJLZCFTRBDDQI-UHFFFAOYSA-N
XLogP4.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.54
H-Bond Donors ≤ 53
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

2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 42747759
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42748003
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203
N-[4-(dimethylamino)-3-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42747218
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
2-(dimethylamino)-5-[(4-propan-2-ylphenyl)carbamoylamino]-N-propylbenzamide
CID 3417510
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
2-[(3-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 100745717
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
CID 771458

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide (CID 3538460) is 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cc(NC(=O)Nc2ccccc2Br)ccc1N(C)C.
What is the InChIKey of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
The InChIKey is FZJLZCFTRBDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2/c1-13(2)12-22-19(26)15-11-14(9-10-18(15)25(3)4)23-20(27)24-17-8-6-5-7-16(17)21/h5-11,13H,12H2,1-4H3,(H,22,26)(H2,23,24,27).
What are the key properties of 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide?
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide has a molecular weight of 433.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 3538460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).