N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide

C19H16ClNO4 — CID 71462077

IUPACN-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)Oc1cc(=O)oc2ccccc12
InChIInChI=1S/C19H16ClNO4/c1-11-14(20)7-5-8-15(11)21-19(23)12(2)24-17-10-18(22)25-16-9-4-3-6-13(16)17/h3-10,12H,1-2H3,(H,21,23)
InChIKeyGROHBJLESHZNGC-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.16
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide

N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide (PubChem CID 71462077) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
PubChem CID71462077
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)Oc1cc(=O)oc2ccccc12
InChIInChI=1S/C19H16ClNO4/c1-11-14(20)7-5-8-15(11)21-19(23)12(2)24-17-10-18(22)25-16-9-4-3-6-13(16)17/h3-10,12H,1-2H3,(H,21,23)
InChIKeyGROHBJLESHZNGC-UHFFFAOYSA-N
XLogP4.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
ethyl 2-(2-oxochromen-4-yl)oxypropanoate
CID 5135792
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 15917903
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2953604
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one
CID 71462078
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739005
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide (CID 71462077) is N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide is Cc1c(Cl)cccc1NC(=O)C(C)Oc1cc(=O)oc2ccccc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
The InChIKey is GROHBJLESHZNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-11-14(20)7-5-8-15(11)21-19(23)12(2)24-17-10-18(22)25-16-9-4-3-6-13(16)17/h3-10,12H,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide?
N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide has a molecular weight of 357.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide is sourced from PubChem (CID 71462077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).