1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide

C17H25BrN2O — CID 120827705

IUPAC1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
SMILESCNC(C)CNC(=O)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C17H25BrN2O/c1-13(19-2)12-20-16(21)17(9-4-3-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13,19H,3-5,9-10,12H2,1-2H3,(H,20,21)
InChIKeyWCPCZTFBWXCXLH-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.38
Rot. Bonds5

About 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide

1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide (PubChem CID 120827705) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
PubChem CID120827705
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
SMILESCNC(C)CNC(=O)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C17H25BrN2O/c1-13(19-2)12-20-16(21)17(9-4-3-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13,19H,3-5,9-10,12H2,1-2H3,(H,20,21)
InChIKeyWCPCZTFBWXCXLH-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(3-bromophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 78855924
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
1-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide
CID 120828561
1-(3-bromophenyl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 86935723
1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119447484

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide (CID 120827705) is 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide is CNC(C)CNC(=O)C1(c2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide?
The InChIKey is WCPCZTFBWXCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13(19-2)12-20-16(21)17(9-4-3-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13,19H,3-5,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide?
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 120827705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).