3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide

C19H22ClN3O3 — CID 54815217

IUPAC3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H22ClN3O3/c1-13-16(20)7-4-8-17(13)22-12-18(24)23-15-6-3-5-14(11-15)19(25)21-9-10-26-2/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyBFLSPDSRFMJEDO-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.08
Rot. Bonds8

About 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide

3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54815217) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54815217
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2C)c1
InChIInChI=1S/C19H22ClN3O3/c1-13-16(20)7-4-8-17(13)22-12-18(24)23-15-6-3-5-14(11-15)19(25)21-9-10-26-2/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyBFLSPDSRFMJEDO-UHFFFAOYSA-N
XLogP3.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419
N-(2-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809231
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836074
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
methyl 4-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817106
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
N-(2-methoxyethyl)-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846451

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 54815217) is 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(NC(=O)CNc2cccc(Cl)c2C)c1.
What is the InChIKey of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is BFLSPDSRFMJEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-16(20)7-4-8-17(13)22-12-18(24)23-15-6-3-5-14(11-15)19(25)21-9-10-26-2/h3-8,11,22H,9-10,12H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide?
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 375.86 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54815217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).