3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide

C23H22FN3O3 — CID 42908374

IUPAC3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)NC(CC(=O)NCc1ccccc1F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H22FN3O3/c24-20-12-5-4-7-17(20)15-26-22(28)14-21(27-23(25)29)16-8-6-11-19(13-16)30-18-9-2-1-3-10-18/h1-13,21H,14-15H2,(H,26,28)(H3,25,27,29)
InChIKeyBXHSFNBXCBOEDD-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.03
Rot. Bonds8

About 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide

3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide (PubChem CID 42908374) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
PubChem CID42908374
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)NC(CC(=O)NCc1ccccc1F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H22FN3O3/c24-20-12-5-4-7-17(20)15-26-22(28)14-21(27-23(25)29)16-8-6-11-19(13-16)30-18-9-2-1-3-10-18/h1-13,21H,14-15H2,(H,26,28)(H3,25,27,29)
InChIKeyBXHSFNBXCBOEDD-UHFFFAOYSA-N
XLogP4.03
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4850353
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
(3S)-3-(carbamoylamino)-N-(3-methylsulfanylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9402974
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide (CID 42908374) is 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide is NC(=O)NC(CC(=O)NCc1ccccc1F)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide?
The InChIKey is BXHSFNBXCBOEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-20-12-5-4-7-17(20)15-26-22(28)14-21(27-23(25)29)16-8-6-11-19(13-16)30-18-9-2-1-3-10-18/h1-13,21H,14-15H2,(H,26,28)(H3,25,27,29).
What are the key properties of 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide?
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide has a molecular weight of 407.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 42908374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).