3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

C14H17BrF2N2O2 — CID 119766513

IUPAC3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cc(Br)ccc2OC(F)F)C1
InChIInChI=1S/C14H17BrF2N2O2/c15-10-2-4-12(21-14(16)17)9(5-10)7-19-13(20)8-1-3-11(18)6-8/h2,4-5,8,11,14H,1,3,6-7,18H2,(H,19,20)
InChIKeyVMOIYCSCXBPNTF-UHFFFAOYSA-N
MW363.20 g/mol
LogP2.79
Rot. Bonds5

About 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119766513) has the molecular formula C14H17BrF2N2O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119766513
Molecular FormulaC14H17BrF2N2O2
Molecular Weight363.20 g/mol
Exact Mass362.04
IUPAC Name3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cc(Br)ccc2OC(F)F)C1
InChIInChI=1S/C14H17BrF2N2O2/c15-10-2-4-12(21-14(16)17)9(5-10)7-19-13(20)8-1-3-11(18)6-8/h2,4-5,8,11,14H,1,3,6-7,18H2,(H,19,20)
InChIKeyVMOIYCSCXBPNTF-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-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

3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
CID 119812541
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
4-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509911
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-cyclopentylmethanamine
CID 43432520
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
1-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 110930479
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
CID 119313649
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
3-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclohexane-1-carboxamide
CID 119753669

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 119766513) is 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2cc(Br)ccc2OC(F)F)C1.
What is the InChIKey of 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is VMOIYCSCXBPNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N2O2/c15-10-2-4-12(21-14(16)17)9(5-10)7-19-13(20)8-1-3-11(18)6-8/h2,4-5,8,11,14H,1,3,6-7,18H2,(H,19,20).
What are the key properties of 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119766513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).