N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide

C18H16BrFN2O2 — CID 113093162

IUPACN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H16BrFN2O2/c1-11(23)22(15-6-7-15)17-8-5-14(20)10-16(17)21-18(24)12-3-2-4-13(19)9-12/h2-5,8-10,15H,6-7H2,1H3,(H,21,24)
InChIKeyKBCNSXZTLMGURE-UHFFFAOYSA-N
MW391.24 g/mol
LogP4.36
Rot. Bonds4

About N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide (PubChem CID 113093162) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide
PubChem CID113093162
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC NameN-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide
SMILESCC(=O)N(c1ccc(F)cc1NC(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C18H16BrFN2O2/c1-11(23)22(15-6-7-15)17-8-5-14(20)10-16(17)21-18(24)12-3-2-4-13(19)9-12/h2-5,8-10,15H,6-7H2,1H3,(H,21,24)
InChIKeyKBCNSXZTLMGURE-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3,4-dichlorobenzamide
CID 113093168
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-chlorobenzamide
CID 113093183
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-methylpropanamide
CID 113093144
2-[(3-bromobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzamide
CID 112823876
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
2-[(3-bromobenzoyl)amino]-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-4-yl)benzamide
CID 166365755
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide?
The IUPAC name of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide (CID 113093162) is N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide?
The canonical SMILES for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide is CC(=O)N(c1ccc(F)cc1NC(=O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide?
The InChIKey is KBCNSXZTLMGURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c1-11(23)22(15-6-7-15)17-8-5-14(20)10-16(17)21-18(24)12-3-2-4-13(19)9-12/h2-5,8-10,15H,6-7H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide?
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide has a molecular weight of 391.24 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide is sourced from PubChem (CID 113093162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).