4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide

C15H21BrN2O — CID 81376555

IUPAC4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(N)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-4,9-11,14H,5-8,17H2,1H3,(H,18,19)/t10-,11?,14?/m0/s1
InChIKeyJQZCJPMZQWEPGG-IFQILLTASA-N
MW325.25 g/mol
LogP3.14
Rot. Bonds3

About 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81376555) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81376555
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(N)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-4,9-11,14H,5-8,17H2,1H3,(H,18,19)/t10-,11?,14?/m0/s1
InChIKeyJQZCJPMZQWEPGG-IFQILLTASA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376546
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
1-(benzenesulfonyl)-N-[1-(3-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43872998

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide (CID 81376555) is 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide is C[C@H](NC(=O)C1CCC(N)CC1)c1cccc(Br)c1.
What is the InChIKey of 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JQZCJPMZQWEPGG-IFQILLTASA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(12-3-2-4-13(16)9-12)18-15(19)11-5-7-14(17)8-6-11/h2-4,9-11,14H,5-8,17H2,1H3,(H,18,19)/t10-,11?,14?/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81376555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).