N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

C16H22F2N2O — CID 119667750

IUPACN-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O/c1-2-3-4-11(9-19)20-16(21)13-8-12(13)10-5-6-14(17)15(18)7-10/h5-7,11-13H,2-4,8-9,19H2,1H3,(H,20,21)
InChIKeyMXMPDUSBRKWTTH-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.70
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 119667750) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID119667750
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O/c1-2-3-4-11(9-19)20-16(21)13-8-12(13)10-5-6-14(17)15(18)7-10/h5-7,11-13H,2-4,8-9,19H2,1H3,(H,20,21)
InChIKeyMXMPDUSBRKWTTH-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide (CID 119667750) is N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide is CCCCC(CN)NC(=O)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MXMPDUSBRKWTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-2-3-4-11(9-19)20-16(21)13-8-12(13)10-5-6-14(17)15(18)7-10/h5-7,11-13H,2-4,8-9,19H2,1H3,(H,20,21).
What are the key properties of N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide?
N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119667750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).