N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide

C20H19ClN2O3 — CID 166414261

IUPACN-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCC3)cc1
InChIInChI=1S/C20H19ClN2O3/c1-3-19(24)23(2)15-8-6-13(7-9-15)20(25)22-17-11-14-5-4-10-26-18(14)12-16(17)21/h3,6-9,11-12H,1,4-5,10H2,2H3,(H,22,25)
InChIKeyCEVHYHOEYRTUOF-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.07
Rot. Bonds4

About N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide

N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166414261) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166414261
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCC3)cc1
InChIInChI=1S/C20H19ClN2O3/c1-3-19(24)23(2)15-8-6-13(7-9-15)20(25)22-17-11-14-5-4-10-26-18(14)12-16(17)21/h3,6-9,11-12H,1,4-5,10H2,2H3,(H,22,25)
InChIKeyCEVHYHOEYRTUOF-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.07
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-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644
N-(3-chloro-2-methoxyphenyl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413859
4-[butyl(methyl)amino]-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)benzamide
CID 52822791
N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(methylsulfanylmethyl)benzamide
CID 18124214
4-[methyl(prop-2-enoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
CID 166413864
3-chloro-5-[[4-[methyl(prop-2-enoyl)amino]benzoyl]amino]benzamide
CID 166414265
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 39821289
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfinylbenzamide
CID 51278846
N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 166337738
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413609
4-[methyl(prop-2-enoyl)amino]-N-[4-methyl-2-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 167966657

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166414261) is N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCC3)cc1.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is CEVHYHOEYRTUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-19(24)23(2)15-8-6-13(7-9-15)20(25)22-17-11-14-5-4-10-26-18(14)12-16(17)21/h3,6-9,11-12H,1,4-5,10H2,2H3,(H,22,25).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide?
N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 370.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166414261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).