N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide

C13H15ClN2O2 — CID 23160556

IUPACN-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)/C=C/N(C)C)ccc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9(17)15-12-8-10(4-5-11(12)14)13(18)6-7-16(2)3/h4-8H,1-3H3,(H,15,17)/b7-6+
InChIKeySRGVDVSSJGQXSC-VOTSOKGWSA-N
MW266.73 g/mol
LogP2.56
Rot. Bonds4

About N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide

N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide (PubChem CID 23160556) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide
PubChem CID23160556
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)/C=C/N(C)C)ccc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9(17)15-12-8-10(4-5-11(12)14)13(18)6-7-16(2)3/h4-8H,1-3H3,(H,15,17)/b7-6+
InChIKeySRGVDVSSJGQXSC-VOTSOKGWSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(dimethylamino)phenyl]acetamide
CID 130011997
(E)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 63706116
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
(E)-4-[2-chloro-5-(dimethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 60940815
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
CID 30850442
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
(E)-3-(dimethylamino)-1-(2,4,5-trichlorophenyl)prop-2-en-1-one
CID 155970268
N-[2-chloro-5-[(E)-1-(dimethylamino)-3-oxobut-1-en-2-yl]phenyl]methanesulfonamide
CID 68722858
methyl N-[[5-[3-(dimethylamino)prop-2-enoyl]-2-methylphenyl]methyl]carbamate
CID 123663859
1-(4-chloro-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 72789848

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide (CID 23160556) is N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1cc(C(=O)/C=C/N(C)C)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide?
The InChIKey is SRGVDVSSJGQXSC-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)15-12-8-10(4-5-11(12)14)13(18)6-7-16(2)3/h4-8H,1-3H3,(H,15,17)/b7-6+.
What are the key properties of N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide?
N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 23160556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).