N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C19H19Cl2N3O2 — CID 54815961

IUPACN-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNc2cccc(Cl)c2Cl)cccc1NC(=O)C1CC1
InChIInChI=1S/C19H19Cl2N3O2/c1-11-14(5-3-6-15(11)24-19(26)12-8-9-12)23-17(25)10-22-16-7-2-4-13(20)18(16)21/h2-7,12,22H,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRUZGWEVJRHXECN-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.70
Rot. Bonds6

About N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 54815961) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID54815961
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNc2cccc(Cl)c2Cl)cccc1NC(=O)C1CC1
InChIInChI=1S/C19H19Cl2N3O2/c1-11-14(5-3-6-15(11)24-19(26)12-8-9-12)23-17(25)10-22-16-7-2-4-13(20)18(16)21/h2-7,12,22H,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRUZGWEVJRHXECN-UHFFFAOYSA-N
XLogP4.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
CID 46761186
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54814225
2-(2,3-dichloroanilino)-N-(4-methylcyclohexyl)acetamide
CID 47123114

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 54815961) is N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is Cc1c(NC(=O)CNc2cccc(Cl)c2Cl)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is RUZGWEVJRHXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11-14(5-3-6-15(11)24-19(26)12-8-9-12)23-17(25)10-22-16-7-2-4-13(20)18(16)21/h2-7,12,22H,8-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54815961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).