N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H20BrNO2 — CID 134041091

IUPACN-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCC(NC(=O)C1COc2ccccc2C1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO2/c1-2-17(13-7-9-16(20)10-8-13)21-19(22)15-11-14-5-3-4-6-18(14)23-12-15/h3-10,15,17H,2,11-12H2,1H3,(H,21,22)
InChIKeyINZHNQSXYXBPSN-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.27
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134041091) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134041091
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC NameN-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCC(NC(=O)C1COc2ccccc2C1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrNO2/c1-2-17(13-7-9-16(20)10-8-13)21-19(22)15-11-14-5-3-4-6-18(14)23-12-15/h3-10,15,17H,2,11-12H2,1H3,(H,21,22)
InChIKeyINZHNQSXYXBPSN-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3S)-3-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 52534914
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-4-phenylbutanoic acid
CID 119201079
methyl (3S)-3-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(4-fluorophenyl)propanoate
CID 95581147
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81042134
3-(3,4-dihydro-2H-chromene-3-carbonylamino)-2-methyl-3-phenylpropanoic acid
CID 119218779
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106288162
N-(1-chloro-3-methylbutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114305640
(2S)-2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129466355
2-(3,4-dihydro-2H-chromene-3-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467724
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120651056

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 134041091) is N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCC(NC(=O)C1COc2ccccc2C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is INZHNQSXYXBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-2-17(13-7-9-16(20)10-8-13)21-19(22)15-11-14-5-3-4-6-18(14)23-12-15/h3-10,15,17H,2,11-12H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134041091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).