N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide

C18H21ClN2O3 — CID 75378411

IUPACN-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide
SMILESCOCC(C)(O)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3/c1-18(23,12-24-2)17(22)21-14-8-9-16(15(19)10-14)20-11-13-6-4-3-5-7-13/h3-10,20,23H,11-12H2,1-2H3,(H,21,22)
InChIKeyPCJLMDFIURFWDT-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.29
Rot. Bonds7

About N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide

N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide (PubChem CID 75378411) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide
PubChem CID75378411
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide
SMILESCOCC(C)(O)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClN2O3/c1-18(23,12-24-2)17(22)21-14-8-9-16(15(19)10-14)20-11-13-6-4-3-5-7-13/h3-10,20,23H,11-12H2,1-2H3,(H,21,22)
InChIKeyPCJLMDFIURFWDT-UHFFFAOYSA-N
XLogP3.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylamino)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287342
N-[4-(benzylamino)-3-chlorophenyl]-3-methyltriazole-4-carboxamide
CID 136540023
5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86892702
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
N-[3-[4-(benzylamino)-3-chloroanilino]-3-oxopropyl]thiophene-3-carboxamide
CID 49494657
N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide
CID 71978101
N-[4-(benzylamino)-3-chlorophenyl]-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 60614094
N-[4-(benzylamino)-3-chlorophenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 47084897
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
2-[4-[(2-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126274200
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
The IUPAC name of N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide (CID 75378411) is N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide is COCC(C)(O)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
The InChIKey is PCJLMDFIURFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-18(23,12-24-2)17(22)21-14-8-9-16(15(19)10-14)20-11-13-6-4-3-5-7-13/h3-10,20,23H,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide?
N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide has a molecular weight of 348.83 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-3-chlorophenyl]-2-hydroxy-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 75378411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).