N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide

C19H19BrClNO — CID 110476879

IUPACN-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrClNO/c1-13(19(10-11-19)15-4-6-16(20)7-5-15)22-18(23)12-14-2-8-17(21)9-3-14/h2-9,13H,10-12H2,1H3,(H,22,23)
InChIKeyGTXOTFBPSUNOOA-UHFFFAOYSA-N
MW392.72 g/mol
LogP4.88
Rot. Bonds5

About N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide

N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 110476879) has the molecular formula C19H19BrClNO and a molecular weight of 392.72 g/mol. Its IUPAC name is N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID110476879
Molecular FormulaC19H19BrClNO
Molecular Weight392.72 g/mol
Exact Mass391.03
IUPAC NameN-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H19BrClNO/c1-13(19(10-11-19)15-4-6-16(20)7-5-15)22-18(23)12-14-2-8-17(21)9-3-14/h2-9,13H,10-12H2,1H3,(H,22,23)
InChIKeyGTXOTFBPSUNOOA-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(4-bromophenyl)-N-(1-bromopropan-2-yl)acetamide
CID 114310589
2-(4-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 55348588
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide (CID 110476879) is N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide is CC(NC(=O)Cc1ccc(Cl)cc1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is GTXOTFBPSUNOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClNO/c1-13(19(10-11-19)15-4-6-16(20)7-5-15)22-18(23)12-14-2-8-17(21)9-3-14/h2-9,13H,10-12H2,1H3,(H,22,23).
What are the key properties of N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide?
N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 392.72 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-bromophenyl)cyclopropyl]ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 110476879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).