3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide

C10H7Cl5N2O2 — CID 134118036

IUPAC3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide
SMILESO=CNC(NC(=O)c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl5N2O2/c11-6-2-1-5(3-7(6)12)8(19)17-9(16-4-18)10(13,14)15/h1-4,9H,(H,16,18)(H,17,19)
InChIKeyKKCZXGPAXKLTAG-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.17
Rot. Bonds4

About 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide

3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide (PubChem CID 134118036) has the molecular formula C10H7Cl5N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide
PubChem CID134118036
Molecular FormulaC10H7Cl5N2O2
Molecular Weight364.44 g/mol
Exact Mass361.90
IUPAC Name3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide
SMILESO=CNC(NC(=O)c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl5N2O2/c11-6-2-1-5(3-7(6)12)8(19)17-9(16-4-18)10(13,14)15/h1-4,9H,(H,16,18)(H,17,19)
InChIKeyKKCZXGPAXKLTAG-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
CID 134122688
3,4-dichloro-N-[1-(3,4-dichloroanilino)-2,2,2-trifluoroethyl]benzamide
CID 134122685
2-[(3,4-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 152540759
4-chloro-N-[2,2,2-trichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 3958463
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
3,4-dichloro-N-(1-cyano-2-methylpropyl)benzamide
CID 63928748
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide
CID 138984141

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide (CID 134118036) is 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide is O=CNC(NC(=O)c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl.
What is the InChIKey of 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
The InChIKey is KKCZXGPAXKLTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl5N2O2/c11-6-2-1-5(3-7(6)12)8(19)17-9(16-4-18)10(13,14)15/h1-4,9H,(H,16,18)(H,17,19).
What are the key properties of 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide?
3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide has a molecular weight of 364.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,2,2-trichloro-1-formamidoethyl)benzamide is sourced from PubChem (CID 134118036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).