[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone

C16H15ClFNO2 — CID 168640641

IUPAC[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1NCC(O)CCl
InChIInChI=1S/C16H15ClFNO2/c17-9-13(20)10-19-15-4-2-1-3-14(15)16(21)11-5-7-12(18)8-6-11/h1-8,13,19-20H,9-10H2
InChIKeyYWHCXVQUTRZSMF-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.07
Rot. Bonds6

About [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone

[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone (PubChem CID 168640641) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone
PubChem CID168640641
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccccc1NCC(O)CCl
InChIInChI=1S/C16H15ClFNO2/c17-9-13(20)10-19-15-4-2-1-3-14(15)16(21)11-5-7-12(18)8-6-11/h1-8,13,19-20H,9-10H2
InChIKeyYWHCXVQUTRZSMF-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-methylphenyl)methanone
CID 168640456
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
2-methylpropyl 2-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168636561
2-methoxyethyl N-[[2-[(3-chloro-2-hydroxypropyl)amino]benzoyl]amino]carbamate
CID 168639683
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
CID 168639161
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 168640663
2-[(3-chloro-2-hydroxypropyl)amino]-5-fluorophenol
CID 168640962
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 168639993
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
methyl 3-[(3-chloro-2-hydroxypropyl)amino]-2-phenylbenzoate
CID 168639894

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone (CID 168640641) is [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccccc1NCC(O)CCl.
What is the InChIKey of [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is YWHCXVQUTRZSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-9-13(20)10-19-15-4-2-1-3-14(15)16(21)11-5-7-12(18)8-6-11/h1-8,13,19-20H,9-10H2.
What are the key properties of [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone?
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 307.75 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 168640641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).