N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide

C15H21BrN2O — CID 81397344

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide
SMILESC[C@H](NC(=O)CNC1CCCC1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-11(13-8-4-5-9-14(13)16)18-15(19)10-17-12-6-2-3-7-12/h4-5,8-9,11-12,17H,2-3,6-7,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyBJNKIWKZFDOCSP-NSHDSACASA-N
MW325.25 g/mol
LogP3.16
Rot. Bonds5

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide (PubChem CID 81397344) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide
PubChem CID81397344
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide
SMILESC[C@H](NC(=O)CNC1CCCC1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-11(13-8-4-5-9-14(13)16)18-15(19)10-17-12-6-2-3-7-12/h4-5,8-9,11-12,17H,2-3,6-7,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyBJNKIWKZFDOCSP-NSHDSACASA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81380629
2-(cyclopentylamino)-N-[1-(furan-2-yl)ethyl]acetamide
CID 60686918
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913472
2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60647303
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 79609850
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide (CID 81397344) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide is C[C@H](NC(=O)CNC1CCCC1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide?
The InChIKey is BJNKIWKZFDOCSP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(13-8-4-5-9-14(13)16)18-15(19)10-17-12-6-2-3-7-12/h4-5,8-9,11-12,17H,2-3,6-7,10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(cyclopentylamino)acetamide is sourced from PubChem (CID 81397344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).