2-[[(E)-3-chloroprop-2-enyl]amino]benzamide

C10H11ClN2O — CID 122358735

IUPAC2-[[(E)-3-chloroprop-2-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC/C=C/Cl
InChIInChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)10(12)14/h1-6,13H,7H2,(H2,12,14)/b6-3+
InChIKeyUQBFWFNXPMFKAD-ZZXKWVIFSA-N
MW210.66 g/mol
LogP1.95
Rot. Bonds4

About 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide

2-[[(E)-3-chloroprop-2-enyl]amino]benzamide (PubChem CID 122358735) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]amino]benzamide
PubChem CID122358735
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC/C=C/Cl
InChIInChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)10(12)14/h1-6,13H,7H2,(H2,12,14)/b6-3+
InChIKeyUQBFWFNXPMFKAD-ZZXKWVIFSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(chloroamino)benzamide
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2-(thiophen-2-ylmethylamino)benzamide
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3-(2-carbamoylanilino)propanoate
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2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
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2-(2,2-dimethylbutanoylamino)benzamide
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2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide
CID 144832768
2-[(4-chlorothiophen-2-yl)methylamino]benzamide
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2-(3-aminopropanoylamino)benzamide
CID 22692052

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide (CID 122358735) is 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide is NC(=O)c1ccccc1NC/C=C/Cl.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide?
The InChIKey is UQBFWFNXPMFKAD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)10(12)14/h1-6,13H,7H2,(H2,12,14)/b6-3+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide?
2-[[(E)-3-chloroprop-2-enyl]amino]benzamide has a molecular weight of 210.66 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]amino]benzamide is sourced from PubChem (CID 122358735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).