N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide

C19H21ClN2O2 — CID 60535262

IUPACN-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-10-7-15(20)11-17(18)21-12-19(23)22(16-8-9-16)13-14-5-3-2-4-6-14/h2-7,10-11,16,21H,8-9,12-13H2,1H3
InChIKeyMBNXJQPECBZYMZ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.95
Rot. Bonds7

About N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide

N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide (PubChem CID 60535262) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
PubChem CID60535262
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C19H21ClN2O2/c1-24-18-10-7-15(20)11-17(18)21-12-19(23)22(16-8-9-16)13-14-5-3-2-4-6-14/h2-7,10-11,16,21H,8-9,12-13H2,1H3
InChIKeyMBNXJQPECBZYMZ-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86910523
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 109031714
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
CID 119703213
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
N-benzyl-N-cyclopropyl-2-(4-fluoro-3-methoxyphenoxy)acetamide
CID 166240421
N-benzyl-N-cyclopropyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119703228
N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide?
The IUPAC name of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide (CID 60535262) is N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide?
The canonical SMILES for N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide is COc1ccc(Cl)cc1NCC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide?
The InChIKey is MBNXJQPECBZYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-18-10-7-15(20)11-17(18)21-12-19(23)22(16-8-9-16)13-14-5-3-2-4-6-14/h2-7,10-11,16,21H,8-9,12-13H2,1H3.
What are the key properties of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide?
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide has a molecular weight of 344.84 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 60535262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).