N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide

C11H13BrClNO2 — CID 114310666

IUPACN-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)CBr
InChIInChI=1S/C11H13BrClNO2/c1-7(6-12)14-11(15)9-5-8(13)3-4-10(9)16-2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyPIDVIYATSACUOS-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.86
Rot. Bonds4

About N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide

N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide (PubChem CID 114310666) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
PubChem CID114310666
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)CBr
InChIInChI=1S/C11H13BrClNO2/c1-7(6-12)14-11(15)9-5-8(13)3-4-10(9)16-2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyPIDVIYATSACUOS-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide (CID 114310666) is N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide?
The InChIKey is PIDVIYATSACUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(6-12)14-11(15)9-5-8(13)3-4-10(9)16-2/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide?
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 114310666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).