N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide

C18H20ClFN2O2 — CID 109020992

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O2/c1-12-9-16(17(24-2)10-14(12)19)22-18(23)7-8-21-11-13-5-3-4-6-15(13)20/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyMFCOQDOUXYHALM-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.91
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide (PubChem CID 109020992) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
PubChem CID109020992
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O2/c1-12-9-16(17(24-2)10-14(12)19)22-18(23)7-8-21-11-13-5-3-4-6-15(13)20/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyMFCOQDOUXYHALM-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001609
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025476
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
3-[(2-amino-2-phenylacetyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119341638
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
(2S)-2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119341627
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(2-methoxyphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019344
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide (CID 109020992) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccccc1F.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
The InChIKey is MFCOQDOUXYHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-12-9-16(17(24-2)10-14(12)19)22-18(23)7-8-21-11-13-5-3-4-6-15(13)20/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide has a molecular weight of 350.82 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 109020992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).