N-(4-bromophenyl)-3-(cyclopropylamino)propanamide

C12H15BrN2O — CID 60723258

IUPACN-(4-bromophenyl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c13-9-1-3-11(4-2-9)15-12(16)7-8-14-10-5-6-10/h1-4,10,14H,5-8H2,(H,15,16)
InChIKeyCNTLQMHAXCFVQZ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.53
Rot. Bonds5

About N-(4-bromophenyl)-3-(cyclopropylamino)propanamide

N-(4-bromophenyl)-3-(cyclopropylamino)propanamide (PubChem CID 60723258) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(cyclopropylamino)propanamide
PubChem CID60723258
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(4-bromophenyl)-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c13-9-1-3-11(4-2-9)15-12(16)7-8-14-10-5-6-10/h1-4,10,14H,5-8H2,(H,15,16)
InChIKeyCNTLQMHAXCFVQZ-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-(cyclopropylamino)-N-[4-(methoxymethyl)phenyl]propanamide
CID 114253132
(E)-3-[4-[3-(cyclopropylamino)propanoylamino]phenyl]prop-2-enoic acid
CID 115342324
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 107336437
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(cyclopropylamino)propanamide (CID 60723258) is N-(4-bromophenyl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(cyclopropylamino)propanamide?
The InChIKey is CNTLQMHAXCFVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-1-3-11(4-2-9)15-12(16)7-8-14-10-5-6-10/h1-4,10,14H,5-8H2,(H,15,16).
What are the key properties of N-(4-bromophenyl)-3-(cyclopropylamino)propanamide?
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide has a molecular weight of 283.17 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 60723258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).