N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide

C13H16BrFN2O — CID 54902470

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H16BrFN2O/c14-12-4-1-10(15)7-9(12)8-17-13(18)5-6-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H,17,18)
InChIKeyNHMRLMLMFLLTQY-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.35
Rot. Bonds6

About N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide

N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide (PubChem CID 54902470) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
PubChem CID54902470
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H16BrFN2O/c14-12-4-1-10(15)7-9(12)8-17-13(18)5-6-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H,17,18)
InChIKeyNHMRLMLMFLLTQY-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 47063585
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
3-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 71967391
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide (CID 54902470) is N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide?
The InChIKey is NHMRLMLMFLLTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-12-4-1-10(15)7-9(12)8-17-13(18)5-6-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H,17,18).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide?
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide has a molecular weight of 315.19 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 54902470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).