5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H19ClN2O3 — CID 17446513

IUPAC5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)cc1)C1CC1
InChIInChI=1S/C20H19ClN2O3/c21-15-5-8-17-14(9-15)10-18(26-17)20(25)22-11-12-1-6-16(7-2-12)23-19(24)13-3-4-13/h1-2,5-9,13,18H,3-4,10-11H2,(H,22,25)(H,23,24)
InChIKeySJESJVNPFLWPOB-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 17446513) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID17446513
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)cc1)C1CC1
InChIInChI=1S/C20H19ClN2O3/c21-15-5-8-17-14(9-15)10-18(26-17)20(25)22-11-12-1-6-16(7-2-12)23-19(24)13-3-4-13/h1-2,5-9,13,18H,3-4,10-11H2,(H,22,25)(H,23,24)
InChIKeySJESJVNPFLWPOB-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499
5-chloro-N-[4-(ethylsulfonylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55960335
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 155821492
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155
(2R)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705156
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
5-chloro-N-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013576
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42936919

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 17446513) is 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(CNC(=O)C2Cc3cc(Cl)ccc3O2)cc1)C1CC1.
What is the InChIKey of 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is SJESJVNPFLWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-15-5-8-17-14(9-15)10-18(26-17)20(25)22-11-12-1-6-16(7-2-12)23-19(24)13-3-4-13/h1-2,5-9,13,18H,3-4,10-11H2,(H,22,25)(H,23,24).
What are the key properties of 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17446513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).