(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide

C19H22FN3O2 — CID 97050764

IUPAC(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
SMILESC[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)C(=O)N(C)C
InChIInChI=1S/C19H22FN3O2/c1-13(18(24)23(2)3)21-19(25)22-17(14-8-5-4-6-9-14)15-10-7-11-16(20)12-15/h4-13,17H,1-3H3,(H2,21,22,25)/t13-,17-/m1/s1
InChIKeyNSAVILDRXWDEFO-CXAGYDPISA-N
MW343.40 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide

(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 97050764) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
PubChem CID97050764
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
SMILESC[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)C(=O)N(C)C
InChIInChI=1S/C19H22FN3O2/c1-13(18(24)23(2)3)21-19(25)22-17(14-8-5-4-6-9-14)15-10-7-11-16(20)12-15/h4-13,17H,1-3H3,(H2,21,22,25)/t13-,17-/m1/s1
InChIKeyNSAVILDRXWDEFO-CXAGYDPISA-N
XLogP2.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 78972642
1-[(S)-(3-fluorophenyl)-phenylmethyl]-3-[2-[(R)-methylsulfinyl]ethyl]urea
CID 96537523
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
CID 1356900
N-[(R)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041571
N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041570
3-benzhydryl-1,1-dimethylurea
CID 2228466
2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 138003566
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)butyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99818408
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide (CID 97050764) is (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide is C[C@@H](NC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is NSAVILDRXWDEFO-CXAGYDPISA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(18(24)23(2)3)21-19(25)22-17(14-8-5-4-6-9-14)15-10-7-11-16(20)12-15/h4-13,17H,1-3H3,(H2,21,22,25)/t13-,17-/m1/s1.
What are the key properties of (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide?
(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 343.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 97050764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).