2-(3-bromophenyl)-2-(cyclopentylamino)propanamide

C14H19BrN2O — CID 54893904

IUPAC2-(3-bromophenyl)-2-(cyclopentylamino)propanamide
SMILESCC(NC1CCCC1)(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-14(13(16)18,17-12-7-2-3-8-12)10-5-4-6-11(15)9-10/h4-6,9,12,17H,2-3,7-8H2,1H3,(H2,16,18)
InChIKeyWTCMSMDQNBGDLA-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.68
Rot. Bonds4

About 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide

2-(3-bromophenyl)-2-(cyclopentylamino)propanamide (PubChem CID 54893904) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(cyclopentylamino)propanamide
PubChem CID54893904
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(3-bromophenyl)-2-(cyclopentylamino)propanamide
SMILESCC(NC1CCCC1)(C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-14(13(16)18,17-12-7-2-3-8-12)10-5-4-6-11(15)9-10/h4-6,9,12,17H,2-3,7-8H2,1H3,(H2,16,18)
InChIKeyWTCMSMDQNBGDLA-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanamide
CID 54894241
methyl 2-(3-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60997710
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
2-(cyclopentylamino)-2-(4-hydroxyphenyl)propanamide
CID 54894194
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanamide
CID 107707551
2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60998760
2-(4-tert-butylphenyl)-2-(cyclopropylamino)propanamide
CID 60795288
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
methyl 2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanoate
CID 54893864
2-(cyclopentylamino)-2-(4-ethoxyphenyl)propanamide
CID 60999099
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
CID 60997602
methyl 2-(cyclopentylamino)-2-(3-methoxyphenyl)propanoate
CID 60998640

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide?
The IUPAC name of 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide (CID 54893904) is 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide?
The canonical SMILES for 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide is CC(NC1CCCC1)(C(N)=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide?
The InChIKey is WTCMSMDQNBGDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-14(13(16)18,17-12-7-2-3-8-12)10-5-4-6-11(15)9-10/h4-6,9,12,17H,2-3,7-8H2,1H3,(H2,16,18).
What are the key properties of 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide?
2-(3-bromophenyl)-2-(cyclopentylamino)propanamide has a molecular weight of 311.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(cyclopentylamino)propanamide is sourced from PubChem (CID 54893904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).