[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone

C16H14ClNO — CID 14598884

IUPAC[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C16H14ClNO/c17-12-6-9-15(18-13-7-8-13)14(10-12)16(19)11-4-2-1-3-5-11/h1-6,9-10,13,18H,7-8H2
InChIKeyCXGMNDCRUFQIGK-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.15
Rot. Bonds4

About [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone

[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone (PubChem CID 14598884) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
PubChem CID14598884
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C16H14ClNO/c17-12-6-9-15(18-13-7-8-13)14(10-12)16(19)11-4-2-1-3-5-11/h1-6,9-10,13,18H,7-8H2
InChIKeyCXGMNDCRUFQIGK-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
CID 526490
cis-(1R,2S)-2-[(2-benzoyl-4-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40548385
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
5-chloro-2-(2,3-dihydro-1H-inden-2-ylamino)benzoic acid
CID 107853439
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
2-N-(2-benzoyl-4-chlorophenyl)-1-N-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873769
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone?
The IUPAC name of [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone (CID 14598884) is [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone?
The canonical SMILES for [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)ccc1NC1CC1.
What is the InChIKey of [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone?
The InChIKey is CXGMNDCRUFQIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-12-6-9-15(18-13-7-8-13)14(10-12)16(19)11-4-2-1-3-5-11/h1-6,9-10,13,18H,7-8H2.
What are the key properties of [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone?
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone has a molecular weight of 271.75 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 14598884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).