N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide

C14H18F2N2O2 — CID 43596336

IUPACN-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCCCNC1CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-4-1-3-10(9-12)13(19)18-8-2-7-17-11-5-6-11/h1,3-4,9,11,14,17H,2,5-8H2,(H,18,19)
InChIKeyZCZGCHNSKKXQOE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.16
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide

N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide (PubChem CID 43596336) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
PubChem CID43596336
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
SMILESO=C(NCCCNC1CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-4-1-3-10(9-12)13(19)18-8-2-7-17-11-5-6-11/h1,3-4,9,11,14,17H,2,5-8H2,(H,18,19)
InChIKeyZCZGCHNSKKXQOE-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(difluoromethoxy)benzamide
CID 55893056
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480
4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
2-amino-4-[[3-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 67330500
N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
CID 106243639
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide (CID 43596336) is N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide is O=C(NCCCNC1CC1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide?
The InChIKey is ZCZGCHNSKKXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)20-12-4-1-3-10(9-12)13(19)18-8-2-7-17-11-5-6-11/h1,3-4,9,11,14,17H,2,5-8H2,(H,18,19).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide?
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 43596336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).