1-bromo-N-propan-2-ylcyclohexane-1-carboxamide

C10H18BrNO — CID 117059753

IUPAC1-bromo-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1(Br)CCCCC1
InChIInChI=1S/C10H18BrNO/c1-8(2)12-9(13)10(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyNDNHURUNRKGXBD-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.61
Rot. Bonds2

About 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide

1-bromo-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 117059753) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID117059753
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name1-bromo-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1(Br)CCCCC1
InChIInChI=1S/C10H18BrNO/c1-8(2)12-9(13)10(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyNDNHURUNRKGXBD-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-N-(1-cyanoethyl)cyclopentane-1-carboxamide
CID 131176934
CID 173229851
CID 173229851
1-hydroxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 59859685
1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 130703863
1-bromocyclobutane-1-carbohydrazide
CID 130652448
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
CID 84719189
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
cyclopentane;propan-2-ylcarbamic acid
CID 169143516
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
bis(1-bromocyclohexane-1-carboxylate);cadmium(2+)
CID 22604917

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide (CID 117059753) is 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1(Br)CCCCC1.
What is the InChIKey of 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NDNHURUNRKGXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(2)12-9(13)10(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide?
1-bromo-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 248.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 117059753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).