2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide

C13H16ClNO — CID 56721101

IUPAC2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide
SMILESCCC/C=C/c1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C13H16ClNO/c1-3-4-5-6-10-7-8-12(14)11(9-10)13(16)15-2/h5-9H,3-4H2,1-2H3,(H,15,16)/b6-5+
InChIKeyXFWRCTPYBUTVCT-AATRIKPKSA-N
MW237.73 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide

2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide (PubChem CID 56721101) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide
PubChem CID56721101
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide
SMILESCCC/C=C/c1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C13H16ClNO/c1-3-4-5-6-10-7-8-12(14)11(9-10)13(16)15-2/h5-9H,3-4H2,1-2H3,(H,15,16)/b6-5+
InChIKeyXFWRCTPYBUTVCT-AATRIKPKSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-5-(4-sulfanylbut-1-enyl)phenyl]ethanone
CID 170478619
methyl 2-chloro-5-(3-chloroprop-1-enyl)benzoate
CID 169477809
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
N-ethyl-4-[(E)-pent-1-enyl]benzamide
CID 11644211
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
2-(4-methylphenyl)-4-pent-1-enylbenzoic acid
CID 54094546
2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid
CID 78325099
N-[4-[4-chloro-3-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488489
4-(4-acetyl-3-chlorophenyl)but-3-enal
CID 170482150
4-[(E)-pent-1-enyl]phenol
CID 15576502
5-(4-amino-4-oxobut-1-enyl)-2-chlorobenzoic acid
CID 170798138
5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide
CID 52666266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide (CID 56721101) is 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide is CCC/C=C/c1ccc(Cl)c(C(=O)NC)c1.
What is the InChIKey of 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide?
The InChIKey is XFWRCTPYBUTVCT-AATRIKPKSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-4-5-6-10-7-8-12(14)11(9-10)13(16)15-2/h5-9H,3-4H2,1-2H3,(H,15,16)/b6-5+.
What are the key properties of 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide?
2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide has a molecular weight of 237.73 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide is sourced from PubChem (CID 56721101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).