6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H21ClN2O3 — CID 24655378

IUPAC6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C21H21ClN2O3/c22-17-5-8-19-15(12-17)11-16(13-27-19)20(25)23-18-6-3-14(4-7-18)21(26)24-9-1-2-10-24/h3-8,12,16H,1-2,9-11,13H2,(H,23,25)
InChIKeyGXVHCLOUBVFEIQ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.77
Rot. Bonds3

About 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 24655378) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID24655378
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C21H21ClN2O3/c22-17-5-8-19-15(12-17)11-16(13-27-19)20(25)23-18-6-3-14(4-7-18)21(26)24-9-1-2-10-24/h3-8,12,16H,1-2,9-11,13H2,(H,23,25)
InChIKeyGXVHCLOUBVFEIQ-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
(3S)-6-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496367
6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55921289
6-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42897099
[4-(pyrrolidine-1-carbonyl)phenyl]methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 30493060
6-chloro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112833087
(3R)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924915
(3S)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924917
azepan-1-yl-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]methanone
CID 8547957
(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870613

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 24655378) is 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GXVHCLOUBVFEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c22-17-5-8-19-15(12-17)11-16(13-27-19)20(25)23-18-6-3-14(4-7-18)21(26)24-9-1-2-10-24/h3-8,12,16H,1-2,9-11,13H2,(H,23,25).
What are the key properties of 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 384.86 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 24655378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).