(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide

C17H14Cl2F3NO2 — CID 7171206

IUPAC(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](Cl)Cc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2F3NO2/c1-25-13-6-4-12(5-7-13)23-16(24)15(19)8-10-2-3-11(9-14(10)18)17(20,21)22/h2-7,9,15H,8H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyUBPFJIGGYXKDNK-OAHLLOKOSA-N
MW392.20 g/mol
LogP5.16
Rot. Bonds5

About (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide

(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide (PubChem CID 7171206) has the molecular formula C17H14Cl2F3NO2 and a molecular weight of 392.20 g/mol. Its IUPAC name is (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide
PubChem CID7171206
Molecular FormulaC17H14Cl2F3NO2
Molecular Weight392.20 g/mol
Exact Mass391.04
IUPAC Name(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](Cl)Cc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2F3NO2/c1-25-13-6-4-12(5-7-13)23-16(24)15(19)8-10-2-3-11(9-14(10)18)17(20,21)22/h2-7,9,15H,8H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyUBPFJIGGYXKDNK-OAHLLOKOSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.20
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoic acid
CID 2781729
(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 6933471
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 2781465
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
(2R)-2-(3-methoxyphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 92681503
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]-N-(4-methoxyphenyl)acetamide
CID 1408344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide (CID 7171206) is (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](Cl)Cc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is UBPFJIGGYXKDNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO2/c1-25-13-6-4-12(5-7-13)23-16(24)15(19)8-10-2-3-11(9-14(10)18)17(20,21)22/h2-7,9,15H,8H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide?
(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 392.20 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7171206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).