(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone

C16H14ClNO2 — CID 114518849

IUPAC(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H14ClNO2/c17-11-3-8-14(15(18)9-11)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13H,6-7,18H2
InChIKeySXAYKSILTWHTOM-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.69
Rot. Bonds4

About (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone

(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 114518849) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID114518849
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESNc1cc(Cl)ccc1C(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H14ClNO2/c17-11-3-8-14(15(18)9-11)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13H,6-7,18H2
InChIKeySXAYKSILTWHTOM-UHFFFAOYSA-N
XLogP3.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520685
(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520639
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812876
(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone
CID 114518915
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813157
(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812909
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone
CID 65458104

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone (CID 114518849) is (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone is Nc1cc(Cl)ccc1C(=O)c1ccc(OC2CC2)cc1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is SXAYKSILTWHTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-11-3-8-14(15(18)9-11)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13H,6-7,18H2.
What are the key properties of (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone?
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 287.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114518849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).