1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide

C12H15BrN2O — CID 81359922

IUPAC1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(N)CC1)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-8(9-2-4-10(13)5-3-9)15-11(16)12(14)6-7-12/h2-5,8H,6-7,14H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyUSSZNMLSTNPCLT-QMMMGPOBSA-N
MW283.17 g/mol
LogP2.12
Rot. Bonds3

About 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 81359922) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID81359922
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(N)CC1)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-8(9-2-4-10(13)5-3-9)15-11(16)12(14)6-7-12/h2-5,8H,6-7,14H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyUSSZNMLSTNPCLT-QMMMGPOBSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
N-[(1R)-1-(4-bromophenyl)ethyl]-1,3,3-trichlorocyclobutane-1-carboxamide
CID 54457761
1-amino-N-[1-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119686347
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 81172890
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide (CID 81359922) is 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(N)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is USSZNMLSTNPCLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(9-2-4-10(13)5-3-9)15-11(16)12(14)6-7-12/h2-5,8H,6-7,14H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 81359922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).