4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide

C11H14Cl2N2O2 — CID 82787029

IUPAC4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-6(5-17-2)15-11(16)7-3-8(12)10(14)9(13)4-7/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyOQRUILSEHILDMK-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.34
Rot. Bonds4

About 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide

4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 82787029) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
PubChem CID82787029
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-6(5-17-2)15-11(16)7-3-8(12)10(14)9(13)4-7/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyOQRUILSEHILDMK-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
CID 122135859
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
7-chloro-N-[(2S)-1-methoxypropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 34834045
1-methoxypropan-2-yl 4-amino-3,5-dichlorobenzoate
CID 82830079
3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368353
(E)-3-[2-chloro-4-(1-methoxypropan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 81308004

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide (CID 82787029) is 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is OQRUILSEHILDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-6(5-17-2)15-11(16)7-3-8(12)10(14)9(13)4-7/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide?
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 277.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 82787029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).