N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide

C20H17ClN2O3 — CID 166422205

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccccc1C(=O)NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C20H17ClN2O3/c1-2-18(24)22-11-13-7-3-4-8-14(13)20(25)23-12-16-15-9-5-6-10-17(15)26-19(16)21/h2-10H,1,11-12H2,(H,22,24)(H,23,25)
InChIKeyCFXHLEQLUJFVHB-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.82
Rot. Bonds6

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide (PubChem CID 166422205) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide
PubChem CID166422205
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccccc1C(=O)NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C20H17ClN2O3/c1-2-18(24)22-11-13-7-3-4-8-14(13)20(25)23-12-16-15-9-5-6-10-17(15)26-19(16)21/h2-10H,1,11-12H2,(H,22,24)(H,23,25)
InChIKeyCFXHLEQLUJFVHB-UHFFFAOYSA-N
XLogP3.82
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422279
N-[3-(4-chlorophenyl)propyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422248
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
2-[(prop-2-enoylamino)methyl]-N-thiophen-3-ylbenzamide
CID 166422175
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
ethyl (2S)-3,3-dimethyl-2-[[2-[(prop-2-enoylamino)methyl]benzoyl]amino]butanoate
CID 166422137
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422224
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
3-hydroxy-N-[[4-[(prop-2-enoylamino)methyl]naphthalen-1-yl]methyl]prop-2-enamide
CID 175404443
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115777523

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide (CID 166422205) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide is C=CC(=O)NCc1ccccc1C(=O)NCc1c(Cl)oc2ccccc12.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide?
The InChIKey is CFXHLEQLUJFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-2-18(24)22-11-13-7-3-4-8-14(13)20(25)23-12-16-15-9-5-6-10-17(15)26-19(16)21/h2-10H,1,11-12H2,(H,22,24)(H,23,25).
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-[(prop-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 166422205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).