N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H16ClNO2 — CID 22578098

IUPACN-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H16ClNO2/c1-11-8-14(18)6-7-15(11)19-17(20)13-9-12-4-2-3-5-16(12)21-10-13/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyBFMLGTMMPMBOTJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.84
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 22578098) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID22578098
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H16ClNO2/c1-11-8-14(18)6-7-15(11)19-17(20)13-9-12-4-2-3-5-16(12)21-10-13/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyBFMLGTMMPMBOTJ-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(2-amino-5-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63563206
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(4-chloro-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 115627234
(3S)-N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 94633318
N-(2-methyl-5-nitrophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628945
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 22578098) is N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BFMLGTMMPMBOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-11-8-14(18)6-7-15(11)19-17(20)13-9-12-4-2-3-5-16(12)21-10-13/h2-8,13H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).