N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide

C20H20BrN3O3 — CID 52718973

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(CCNC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H20BrN3O3/c21-15-5-9-16(10-6-15)23-18(25)11-12-22-19(26)13-3-7-17(8-4-13)24-20(27)14-1-2-14/h3-10,14H,1-2,11-12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyLJMGXVNVITXLTG-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.56
Rot. Bonds7

About N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide

N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 52718973) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID52718973
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(CCNC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H20BrN3O3/c21-15-5-9-16(10-6-15)23-18(25)11-12-22-19(26)13-3-7-17(8-4-13)24-20(27)14-1-2-14/h3-10,14H,1-2,11-12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyLJMGXVNVITXLTG-UHFFFAOYSA-N
XLogP3.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
CID 60549241
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride
CID 119297988
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide (CID 52718973) is N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide is O=C(CCNC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is LJMGXVNVITXLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c21-15-5-9-16(10-6-15)23-18(25)11-12-22-19(26)13-3-7-17(8-4-13)24-20(27)14-1-2-14/h3-10,14H,1-2,11-12H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 430.30 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 52718973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).