N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H20ClNO2 — CID 134041230

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)C1CC1)C1COc2ccccc2C1
InChIInChI=1S/C20H20ClNO2/c21-17-9-7-14(8-10-17)19(13-5-6-13)22-20(23)16-11-15-3-1-2-4-18(15)24-12-16/h1-4,7-10,13,16,19H,5-6,11-12H2,(H,22,23)
InChIKeyRRZNQOVXWDAKQI-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.16
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134041230) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134041230
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)C1CC1)C1COc2ccccc2C1
InChIInChI=1S/C20H20ClNO2/c21-17-9-7-14(8-10-17)19(13-5-6-13)22-20(23)16-11-15-3-1-2-4-18(15)24-12-16/h1-4,7-10,13,16,19H,5-6,11-12H2,(H,22,23)
InChIKeyRRZNQOVXWDAKQI-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51296393
N-(1-chloro-3-methylbutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114305640
N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041091
N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81042134
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-phenylbutanoic acid
CID 119201079
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
3-(3,4-dihydro-2H-chromene-3-carbonylamino)-2-methyl-3-phenylpropanoic acid
CID 119218779
(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129466355
6-chloro-N-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 110001475

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 134041230) is N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC(c1ccc(Cl)cc1)C1CC1)C1COc2ccccc2C1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is RRZNQOVXWDAKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c21-17-9-7-14(8-10-17)19(13-5-6-13)22-20(23)16-11-15-3-1-2-4-18(15)24-12-16/h1-4,7-10,13,16,19H,5-6,11-12H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134041230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).