N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide

C15H19ClN2O2 — CID 67479338

IUPACN-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide
SMILESCNC(=O)CCc1ccc(Cl)c(CNC(=O)C2CC2)c1
InChIInChI=1S/C15H19ClN2O2/c1-17-14(19)7-3-10-2-6-13(16)12(8-10)9-18-15(20)11-4-5-11/h2,6,8,11H,3-5,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyALSMMVFNESQZDD-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.04
Rot. Bonds6

About N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide

N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 67479338) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID67479338
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide
SMILESCNC(=O)CCc1ccc(Cl)c(CNC(=O)C2CC2)c1
InChIInChI=1S/C15H19ClN2O2/c1-17-14(19)7-3-10-2-6-13(16)12(8-10)9-18-15(20)11-4-5-11/h2,6,8,11H,3-5,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyALSMMVFNESQZDD-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479328
N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 87415673
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanecarboxamide
CID 140923263
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
CID 67148684
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide
CID 67148598
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanecarboxamide
CID 90019905
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide (CID 67479338) is N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide is CNC(=O)CCc1ccc(Cl)c(CNC(=O)C2CC2)c1.
What is the InChIKey of N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is ALSMMVFNESQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-17-14(19)7-3-10-2-6-13(16)12(8-10)9-18-15(20)11-4-5-11/h2,6,8,11H,3-5,7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide?
N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 67479338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).