N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide

C16H19ClN2O2 — CID 67479328

IUPACN-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(Cl)c(CNC(=O)C2CC2)c1)C1CC1
InChIInChI=1S/C16H19ClN2O2/c17-14-6-1-10(8-18-15(20)11-2-3-11)7-13(14)9-19-16(21)12-4-5-12/h1,6-7,11-12H,2-5,8-9H2,(H,18,20)(H,19,21)
InChIKeyOLRMTUZDGIAZQG-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.39
Rot. Bonds6

About N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide

N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 67479328) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID67479328
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(Cl)c(CNC(=O)C2CC2)c1)C1CC1
InChIInChI=1S/C16H19ClN2O2/c17-14-6-1-10(8-18-15(20)11-2-3-11)7-13(14)9-19-16(21)12-4-5-12/h1,6-7,11-12H,2-5,8-9H2,(H,18,20)(H,19,21)
InChIKeyOLRMTUZDGIAZQG-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 87415673
N-[[2-chloro-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479338
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanecarboxamide
CID 90019905
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanecarboxamide
CID 140923263
CID 67148606
CID 67148606
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 67148430

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide (CID 67479328) is N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(Cl)c(CNC(=O)C2CC2)c1)C1CC1.
What is the InChIKey of N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is OLRMTUZDGIAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-14-6-1-10(8-18-15(20)11-2-3-11)7-13(14)9-19-16(21)12-4-5-12/h1,6-7,11-12H,2-5,8-9H2,(H,18,20)(H,19,21).
What are the key properties of N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide?
N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 67479328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).