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

C20H21ClN2O3 — CID 55609725

IUPAC6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C20H21ClN2O3/c1-12(2)19(24)22-16-4-3-5-17(10-16)23-20(25)14-8-13-9-15(21)6-7-18(13)26-11-14/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVETUSNZOPRTHQC-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.12
Rot. Bonds4

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

6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55609725) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55609725
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2COc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C20H21ClN2O3/c1-12(2)19(24)22-16-4-3-5-17(10-16)23-20(25)14-8-13-9-15(21)6-7-18(13)26-11-14/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVETUSNZOPRTHQC-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-acetylanilino)-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 46621129
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8641928
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 55679062
(3R)-6-chloro-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99788038
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
6-chloro-N-[2-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119438781
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 27698154
(3S)-6-chloro-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9092926

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55609725) is 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)C(=O)Nc1cccc(NC(=O)C2COc3ccc(Cl)cc3C2)c1.
What is the InChIKey of 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VETUSNZOPRTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12(2)19(24)22-16-4-3-5-17(10-16)23-20(25)14-8-13-9-15(21)6-7-18(13)26-11-14/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55609725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).