3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide

C13H14Cl2N2O3 — CID 94005114

IUPAC3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)[C@]1(C)CC1(Cl)Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-12(6-13(12,14)15)11(19)17-8-5-7(10(16)18)3-4-9(8)20-2/h3-5H,6H2,1-2H3,(H2,16,18)(H,17,19)/t12-/m0/s1
InChIKeyMURJUVPFQNDSQM-LBPRGKRZSA-N
MW317.17 g/mol
LogP2.32
Rot. Bonds4

About 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide

3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide (PubChem CID 94005114) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide
PubChem CID94005114
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)[C@]1(C)CC1(Cl)Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-12(6-13(12,14)15)11(19)17-8-5-7(10(16)18)3-4-9(8)20-2/h3-5H,6H2,1-2H3,(H2,16,18)(H,17,19)/t12-/m0/s1
InChIKeyMURJUVPFQNDSQM-LBPRGKRZSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 91641888
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide
CID 82763579
4-amino-N-(5-carbamoyl-2-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248860
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide?
The IUPAC name of 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide (CID 94005114) is 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide?
The canonical SMILES for 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)[C@]1(C)CC1(Cl)Cl.
What is the InChIKey of 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide?
The InChIKey is MURJUVPFQNDSQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-12(6-13(12,14)15)11(19)17-8-5-7(10(16)18)3-4-9(8)20-2/h3-5H,6H2,1-2H3,(H2,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide?
3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide has a molecular weight of 317.17 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 94005114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).