2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide

C14H17ClF2N2O2 — CID 115672955

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
SMILESCC(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC1CC1
InChIInChI=1S/C14H17ClF2N2O2/c1-8(13(20)19-11-3-4-11)18-7-9-6-10(15)2-5-12(9)21-14(16)17/h2,5-6,8,11,14,18H,3-4,7H2,1H3,(H,19,20)
InChIKeyMOSUSSIVQZSAAZ-UHFFFAOYSA-N
MW318.75 g/mol
LogP2.70
Rot. Bonds7

About 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide (PubChem CID 115672955) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
PubChem CID115672955
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
SMILESCC(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC1CC1
InChIInChI=1S/C14H17ClF2N2O2/c1-8(13(20)19-11-3-4-11)18-7-9-6-10(15)2-5-12(9)21-14(16)17/h2,5-6,8,11,14,18H,3-4,7H2,1H3,(H,19,20)
InChIKeyMOSUSSIVQZSAAZ-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 43278086
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
3-[[N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylcyclohexane-1-carboxamide;hydroiodide
CID 111996932
methyl 4-[[N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111994011
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]thian-4-amine
CID 115615579
3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 43792265
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
CID 111744162
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]heptan-2-amine
CID 43778017

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide (CID 115672955) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide is CC(NCc1cc(Cl)ccc1OC(F)F)C(=O)NC1CC1.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
The InChIKey is MOSUSSIVQZSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2/c1-8(13(20)19-11-3-4-11)18-7-9-6-10(15)2-5-12(9)21-14(16)17/h2,5-6,8,11,14,18H,3-4,7H2,1H3,(H,19,20).
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide has a molecular weight of 318.75 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 115672955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).