4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide

C19H20ClNO2 — CID 87017830

IUPAC4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NC1COc2ccccc2C1
InChIInChI=1S/C19H20ClNO2/c20-16-10-8-14(9-11-16)4-3-7-19(22)21-17-12-15-5-1-2-6-18(15)23-13-17/h1-2,5-6,8-11,17H,3-4,7,12-13H2,(H,21,22)
InChIKeyNZHMYJNMPYBJCR-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.78
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide

4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide (PubChem CID 87017830) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide
PubChem CID87017830
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NC1COc2ccccc2C1
InChIInChI=1S/C19H20ClNO2/c20-16-10-8-14(9-11-16)4-3-7-19(22)21-17-12-15-5-1-2-6-18(15)23-13-17/h1-2,5-6,8-11,17H,3-4,7,12-13H2,(H,21,22)
InChIKeyNZHMYJNMPYBJCR-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
3-cyclopentylsulfonyl-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]propanamide
CID 94466747
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 129366981
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]propanamide
CID 124787465
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide (CID 87017830) is 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide is O=C(CCCc1ccc(Cl)cc1)NC1COc2ccccc2C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide?
The InChIKey is NZHMYJNMPYBJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-16-10-8-14(9-11-16)4-3-7-19(22)21-17-12-15-5-1-2-6-18(15)23-13-17/h1-2,5-6,8-11,17H,3-4,7,12-13H2,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide?
4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide has a molecular weight of 329.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)butanamide is sourced from PubChem (CID 87017830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).