(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide

C10H10BrClN2O3 — CID 2638136

IUPAC(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
SMILESC[C@H](Oc1ccc(Br)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C10H10BrClN2O3/c1-5(9(15)14-10(13)16)17-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H3,13,14,15,16)/t5-/m0/s1
InChIKeyVRUATWKBCGWTCY-YFKPBYRVSA-N
MW321.56 g/mol
LogP2.06
Rot. Bonds3

About (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide

(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide (PubChem CID 2638136) has the molecular formula C10H10BrClN2O3 and a molecular weight of 321.56 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
PubChem CID2638136
Molecular FormulaC10H10BrClN2O3
Molecular Weight321.56 g/mol
Exact Mass319.96
IUPAC Name(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
SMILESC[C@H](Oc1ccc(Br)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C10H10BrClN2O3/c1-5(9(15)14-10(13)16)17-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H3,13,14,15,16)/t5-/m0/s1
InChIKeyVRUATWKBCGWTCY-YFKPBYRVSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
2-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-carbamoylpropanamide
CID 78937100
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
4-[[(2R)-2-(4-bromo-2-chlorophenoxy)propanoyl]amino]benzamide
CID 7809676
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-carbamoylpropanamide
CID 43277601
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
3-bromo-4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61317730
[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 16524612
(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 2225511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide?
The IUPAC name of (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide (CID 2638136) is (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide is C[C@H](Oc1ccc(Br)cc1Cl)C(=O)NC(N)=O.
What is the InChIKey of (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide?
The InChIKey is VRUATWKBCGWTCY-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10BrClN2O3/c1-5(9(15)14-10(13)16)17-8-3-2-6(11)4-7(8)12/h2-5H,1H3,(H3,13,14,15,16)/t5-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide?
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide has a molecular weight of 321.56 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide is sourced from PubChem (CID 2638136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).