1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

C18H20ClFN2O2 — CID 119729498

IUPAC1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CC1)c1ccc(Oc2ccccc2)c(F)c1.Cl
InChIInChI=1S/C18H19FN2O2.ClH/c1-12(21-17(22)18(20)9-10-18)13-7-8-16(15(19)11-13)23-14-5-3-2-4-6-14;/h2-8,11-12H,9-10,20H2,1H3,(H,21,22);1H
InChIKeyNSFQVYOQRITHMI-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.71
Rot. Bonds5

About 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119729498) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119729498
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CC1)c1ccc(Oc2ccccc2)c(F)c1.Cl
InChIInChI=1S/C18H19FN2O2.ClH/c1-12(21-17(22)18(20)9-10-18)13-7-8-16(15(19)11-13)23-14-5-3-2-4-6-14;/h2-8,11-12H,9-10,20H2,1H3,(H,21,22);1H
InChIKeyNSFQVYOQRITHMI-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119686347
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100642402
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119729502
2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292625
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
1-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentane-1-carboxamide
CID 60868476

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119729498) is 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is CC(NC(=O)C1(N)CC1)c1ccc(Oc2ccccc2)c(F)c1.Cl.
What is the InChIKey of 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is NSFQVYOQRITHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2.ClH/c1-12(21-17(22)18(20)9-10-18)13-7-8-16(15(19)11-13)23-14-5-3-2-4-6-14;/h2-8,11-12H,9-10,20H2,1H3,(H,21,22);1H.
What are the key properties of 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 350.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119729498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).