N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide

C14H19BrN2O — CID 107174941

IUPACN-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C14H19BrN2O/c1-14(2)7-3-4-10(14)13(18)17-9-5-6-11(15)12(16)8-9/h5-6,8,10H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyKFEDYPMIWUREOP-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.80
Rot. Bonds2

About N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174941) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174941
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C14H19BrN2O/c1-14(2)7-3-4-10(14)13(18)17-9-5-6-11(15)12(16)8-9/h5-6,8,10H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyKFEDYPMIWUREOP-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181
N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174811
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181426
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107174941) is N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ccc(Br)c(N)c1.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is KFEDYPMIWUREOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-14(2)7-3-4-10(14)13(18)17-9-5-6-11(15)12(16)8-9/h5-6,8,10H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).