1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone

C18H18ClNO — CID 82535485

IUPAC1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C18H18ClNO/c1-13(21)14-7-8-16(19)17(11-14)20-12-18(9-10-18)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12H2,1H3
InChIKeyOJWFJURVFRTBHZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.69
Rot. Bonds5

About 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone

1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone (PubChem CID 82535485) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone
PubChem CID82535485
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C18H18ClNO/c1-13(21)14-7-8-16(19)17(11-14)20-12-18(9-10-18)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12H2,1H3
InChIKeyOJWFJURVFRTBHZ-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
4-acetyl-2-[[4-(4-bromophenyl)oxan-4-yl]methylamino]benzonitrile
CID 133457322
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
2-(5-acetyl-2-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128277
methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate
CID 113214388
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone (CID 82535485) is 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone is CC(=O)c1ccc(Cl)c(NCC2(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone?
The InChIKey is OJWFJURVFRTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13(21)14-7-8-16(19)17(11-14)20-12-18(9-10-18)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone?
1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone has a molecular weight of 299.80 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 82535485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).