4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide

C12H12Cl2N2O2 — CID 26636437

IUPAC4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@@]1(C(=O)Nc2ccc(C(N)=O)cc2)CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-11(6-12(11,13)14)10(18)16-8-4-2-7(3-5-8)9(15)17/h2-5H,6H2,1H3,(H2,15,17)(H,16,18)/t11-/m0/s1
InChIKeyVHTMCIWLZVFGLK-NSHDSACASA-N
MW287.15 g/mol
LogP2.31
Rot. Bonds3

About 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide

4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 26636437) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID26636437
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@@]1(C(=O)Nc2ccc(C(N)=O)cc2)CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-11(6-12(11,13)14)10(18)16-8-4-2-7(3-5-8)9(15)17/h2-5H,6H2,1H3,(H2,15,17)(H,16,18)/t11-/m0/s1
InChIKeyVHTMCIWLZVFGLK-NSHDSACASA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454574
2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 17071382
N-(4-carbamoylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121565
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
CID 51983589
2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 46552870
4-[[1-(aminomethyl)-3-methylcyclobutanecarbonyl]amino]benzamide
CID 80588190
2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 46570320
ethyl 4-[[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]carbamothioylamino]benzoate
CID 2205360
N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
CID 46536638

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide (CID 26636437) is 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide is C[C@@]1(C(=O)Nc2ccc(C(N)=O)cc2)CC1(Cl)Cl.
What is the InChIKey of 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is VHTMCIWLZVFGLK-NSHDSACASA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-11(6-12(11,13)14)10(18)16-8-4-2-7(3-5-8)9(15)17/h2-5H,6H2,1H3,(H2,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide?
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 287.15 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 26636437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).