N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

C21H23ClN2O3 — CID 46540201

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-21(2,3)24-20(26)13-4-7-17(8-5-13)23-19(25)15-10-14-11-16(22)6-9-18(14)27-12-15/h4-9,11,15H,10,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHOCXIPUZCDWMMW-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.06
Rot. Bonds3

About N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 46540201) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID46540201
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-21(2,3)24-20(26)13-4-7-17(8-5-13)23-19(25)15-10-14-11-16(22)6-9-18(14)27-12-15/h4-9,11,15H,10,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHOCXIPUZCDWMMW-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-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

(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55921289
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
(3S)-6-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496367
6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725
(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870613
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8869414
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924917
(3R)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924915

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide (CID 46540201) is N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HOCXIPUZCDWMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-21(2,3)24-20(26)13-4-7-17(8-5-13)23-19(25)15-10-14-11-16(22)6-9-18(14)27-12-15/h4-9,11,15H,10,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 46540201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).