3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide

C14H19BrN2O — CID 81358990

IUPAC3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
SMILESC[C@@H](NCCC(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-10(11-2-4-12(15)5-3-11)16-9-8-14(18)17-13-6-7-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyVAFZGCIFRXHXKO-SNVBAGLBSA-N
MW311.22 g/mol
LogP2.77
Rot. Bonds6

About 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide

3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide (PubChem CID 81358990) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
PubChem CID81358990
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
SMILESC[C@@H](NCCC(=O)NC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-10(11-2-4-12(15)5-3-11)16-9-8-14(18)17-13-6-7-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyVAFZGCIFRXHXKO-SNVBAGLBSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
CID 81359953
N-cyclopropyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propanamide
CID 79380363
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
N-cyclopropyl-4-[1-(2,4-dibromophenyl)ethylamino]butanamide
CID 79394511
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
N-cyclopropyl-3-[1-(3-nitrophenyl)ethylamino]propanamide
CID 79139425

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide (CID 81358990) is 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide is C[C@@H](NCCC(=O)NC1CC1)c1ccc(Br)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The InChIKey is VAFZGCIFRXHXKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(11-2-4-12(15)5-3-11)16-9-8-14(18)17-13-6-7-13/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide?
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide has a molecular weight of 311.22 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 81358990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).